SCHEMBL6968612

SCHEMBL6968612

O=C(Nc1ccc(Cl)cc1)OCCc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.41
CNR1 P21554 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6966124 0.92 ROCK2 (0.47) ROCK2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6972522 0.88 NPC1 (0.53) ROCK2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6970271 0.86 HRH4 (0.44) LMNAPOLBCYP2C9CYP2C19HRH4
SCHEMBL6965330 0.84 ESR1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL6974399 0.84 ESR1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL6972584 0.84 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1LMNAPOLBMAPT
SCHEMBL7973065 0.83 NPC1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1RECQL
SCHEMBL6972709 0.83 NPC1 (0.52) ROCK2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9029314 0.80 NPC1 (0.52) ROCK2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6970199 0.79 RAB9A (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA

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