SCHEMBL6971279

SCHEMBL6971279

NCc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
ADRB2 P07550 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
LOXL2 Q9Y4K0 8/20 0.37
ABAT P80404 1/20 0.35
F11 P03951 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
ROCK1 Q13464 1/20 0.33
HSP90AB1 P08238 1/20 0.33
AKT2 P31751 1/20 0.32
F10 P00742 1/20 0.31

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
SCHEMBL3149298 0.85 L3MBTL1 (0.49) HRH3LOXL2L3MBTL1HSP90AB1
SCHEMBL28260270 0.81 HTR2C (0.40) LOXL2TAAR1
SCHEMBL6972732 0.81 NOTUM (0.39) TAAR1
SCHEMBL11050091 0.81 LPL (0.36) HRH3TAAR1
SCHEMBL11047959 0.81 HSP90AB1 (0.47) TAAR1HSP90AB1
SCHEMBL28216766 0.81 ESR1 (0.48) ABATTAAR1
SCHEMBL649075 0.80 ALDH1A1 (0.46) HRH3TAAR1L3MBTL1
Immethridine SCHEMBL845141 0.78 HRH4 (0.44) HRH3LOXL2
SCHEMBL29956790 0.78 ALDH1A1 (0.37) ABAT
SCHEMBL6966762 0.78 PRSS1 (0.46) LOXL2F10

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-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed