SCHEMBL8518308

SCHEMBL8518308

N=C(Nc1ccccc1)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
CYP2C19 P33261 2/20 0.59
GLA P06280 1/20 0.59
CYP1A2 P05177 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.42
FAAH O00519 1/20 0.42

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
Hydrochloric Acid SCHEMBL11483908 0.98 KMT2A (0.58) ALDH1A1KMT2AMEN1CYP2C19GLA
Iodide SCHEMBL10827369 0.98 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1CYP2C19GLA
Iodide SCHEMBL10827361 0.96 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CYP2C19GLA
SCHEMBL8391995 0.96 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1CYP2C19GLA
Oxalic Acid SCHEMBL8394089 0.91 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1CYP2C19GLA
SCHEMBL14705873 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1CYP2C19GLA
SCHEMBL9520378 0.83 CYP2C19 (0.65) ALDH1A1CYP2C19SMN1; SMN2POLBLMNA
SCHEMBL6803851 0.83 POLB (0.63) ALDH1A1KMT2AMEN1CYP2C19GLA
Hydrochloric Acid SCHEMBL17668292 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CYP2C19GLA
SCHEMBL17186261 0.83 KMT2A (0.50) ALDH1A1KMT2AMEN1CYP2C19GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP disclosed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO disclosed
EP-0009362-B1 HETEROCYCLIC DERIVATIVES OF GUANIDINE, THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS COMPRISING THEM McNeilab, Inc. (US) 1984-06-27 EP disclosed
US-4414211-A HYPOGLYCEMIC/- MCNEILAB, INC. (US) 1983-11-08 US disclosed
US-4345083-A HYPOGLYCEMIC AGENTS MCNEILAB, INC. (US) 1982-08-17 US disclosed
US-4266062-A HYPOGLYCEMIC ACTIVITY MCNEILAB, INC. (US) 1981-05-05 US disclosed
US-4211867-A ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-08 US disclosed
EP-0009362-A1 Heterocyclic derivatives of guanidine, their preparation and pharmaceutical formulations comprising them McNeilab, Inc. (US) 1980-04-02 EP disclosed
US-4182865-A HYPOGLYCEMIC AGENTS MCNEIL LABORATORIES, INC. (US) 1980-01-08 US disclosed