SCHEMBL6960285

SCHEMBL6960285

CN(Cc1ccccc1)C(=O)OCCc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 1/20 0.37
APOBEC3A P31941 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL6970199 0.90 RAB9A (0.40) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL9079669 0.86 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL7972578 0.85 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL6974227 0.84 NPC1 (0.44) KMT2ANPC1RAB9ASMN1; SMN2CA12
SCHEMBL6966973 0.81 ROCK2 (0.50) KMT2ANPC1RAB9ASMN1; SMN2CA12
SCHEMBL6972511 0.81 ALOX5 (0.45) HCAR2
SCHEMBL7977515 0.74 KMT2A (0.43) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL6966618 0.73 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL6969265 0.72 ALDH1A1 (0.41) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL649075 0.72 ALDH1A1 (0.46) KMT2ARAB9ASMN1; SMN2MEN1LMNA

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