SCHEMBL7281986

SCHEMBL7281986

COC(=O)C[C@@H]1C[C@@H](CCN(Cc2ccccc2)c2cccc(-c3cccc([N+](=O)[O-])c3)c2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
MAPT P10636 1/20 0.37
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
ABCB1 P08183 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL7273655 0.85 SIGMAR1 (0.40) SIGMAR1MAPTALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL7283105 0.84 F2 (0.33) MAPTUBE2MDCUN1D1MTNR1AMTNR1B
SCHEMBL7275560 0.82 ALDH1A1 (0.45) SIGMAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL7280821 0.81 ALDH1A1 (0.47) SIGMAR1MAPTALDH1A1RAB9AKMT2A
SCHEMBL7281984 0.81 SIGMAR1 (0.38) SIGMAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL7284968 0.81 ALDH1A1 (0.43) SIGMAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL7275722 0.75 SIGMAR1 (0.41) SIGMAR1MAPTALDH1A1LMNAKMT2A
SCHEMBL7283319 0.74 GAA (0.42) MAPTLMNAKMT2AMEN1GAA
SCHEMBL7275008 0.74
Hydrochloric Acid SCHEMBL7282118 0.73

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed