SCHEMBL6972709

SCHEMBL6972709

O=C(Nc1ccc(Cl)cc1)OCc1ccc(CCc2c[nH]cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.46
POLB P06746 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCD O00767 1/20 0.44
ROCK2 O75116 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
SCHEMBL6966124 0.91 ROCK2 (0.47) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL6972522 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL6970345 0.83 ALDH1A1 (0.44) NPC1SMN1; SMN2MAPTCYP1A2POLB
SCHEMBL6972503 0.83 MEN1 (0.43) NPC1MAPTCYP1A2POLBCYP2D6
SCHEMBL6964272 0.83 KMT2A (0.49) NPC1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL6962441 0.83 KMT2A (0.49) NPC1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL6968612 0.83 ROCK2 (0.47) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL7973065 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL9029314 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL9034160 0.80 MAOB (0.40) NPC1RAB9ASMN1; SMN2LMNA

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 2 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