SCHEMBL7898746

SCHEMBL7898746

O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccccc2)N1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
ALDH1A1 P00352 1/20 0.74
TDP1 Q9NUW8 2/20 0.71
RAB9A P51151 1/20 0.66
GAA P10253 1/20 0.66
POLB P06746 2/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ATM Q13315 1/20 0.59
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
USP7 Q93009 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6098746 1.00 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL7898749 1.00 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL2188279 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL6099597 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL9025236 0.85 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL6099600 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL2188282 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL2188278 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL6099592 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL8529114 0.83 TDP1 (0.73) SMN1; SMN2ALDH1A1TDP1RAB9AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080080-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-07 EP disclosed
EP-1080080-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS Advanced Medicine, Inc. (US) 2001-03-07 EP disclosed
WO-1999064000-A9 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2000-04-20 WO disclosed
WO-1999064000-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
EP-0683767-B1 AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 1998-06-03 EP disclosed
EP-0687268-B1 SPIROAZACYCLIC DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER (US) 1998-05-27 EP disclosed
EP-0594636-B1 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1998-01-21 EP disclosed
US-5633266-A Azacyclic compounds compositions containing them and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 1997-05-27 US disclosed
EP-0687268-A1 SPIROAZACYCLIC DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-12-20 EP disclosed
EP-0683767-A1 AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-11-29 EP disclosed
EP-0436334-B1 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER (US) 1994-12-07 EP disclosed
WO-1994020500-A1 SPIROAZACYCLIC DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-09-15 WO disclosed
WO-1994019323-A1 AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-09-01 WO disclosed
US-5332817-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1994-07-26 US disclosed
EP-0594636-A1 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1994-05-04 EP disclosed
US-5232929-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use PFIZER INC. (US) 1993-08-03 US disclosed
WO-1993001170-A1 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-21 WO disclosed
WO-1991009844-A1 SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436334-A2 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1991-07-10 EP disclosed