SCHEMBL6622383

SCHEMBL6622383

COc1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ RECQL P46063 1/20 0.61
▸ LMNA P02545 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ POLB P06746 3/20 0.58
▸ GAA P10253 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ DRD4 P21917 1/20 0.52

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
SCHEMBL962507 0.85 ALDH1A1 (0.61) ALDH1A1RECQLLMNAKMT2AMEN1
SCHEMBL15086506 0.79 ALDH1A1 (0.78) ALDH1A1RECQLLMNAKMT2AMEN1
SCHEMBL8354074 0.79 MAPT (0.68) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL8353854 0.78 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL8351225 0.78 MAPT (0.67) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL8130534 0.78 MAPK1 (0.56) ALDH1A1LMNAKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL8356274 0.77 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL7551929 0.77 ALDH1A1 (0.62) ALDH1A1RECQLLMNAKMT2AMEN1
SCHEMBL11280038 0.74 HTR2A (0.62) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL9425105 0.73 LMNA (0.84) ALDH1A1LMNAKMT2AMEN1KDM4E

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-1218352-B1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-05-12 — — EP disclosed
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 — — EP disclosed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 — — US disclosed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 — — WO disclosed
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