SCHEMBL9253748

SCHEMBL9253748

COc1ccc2c(=O)nc(CCN)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
STAT1 P42224 1/20 0.48
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAOA P21397 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 2/20 0.45
NQO1 P15559 1/20 0.45
MAOB P27338 1/20 0.45
PPARG P37231 1/20 0.44
CYP19A1 P11511 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.44

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 SCHEMBL9156668 0.99 KDM4E (0.47) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL9253882 0.89 ALDH1A1 (0.51) KDM4EALDH1A1NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL9157732 0.88 ALDH1A1 (0.50) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL9162577 0.80 MTNR1A (0.56)
SCHEMBL9246324 0.80 KDM4E (0.49) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL7795159 0.73 MAOB (0.58) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL29699265 0.73 KDM4E (0.60) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL18766190 0.73 KDM4E (0.60) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL18397897 0.71 PPARG (0.65) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL12228491 0.71 CYP19A1 (0.60) KDM4EALDH1A1NPC1MAPTRAB9A

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
US-5386034-A Treatment of sleeping, psychological and nervous system disorders; anxiolytic agents, ovulation regulators ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5322849-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5300507-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-04-05 US disclosed
US-5240919-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed