SCHEMBL6962284

SCHEMBL6962284

O=C(NCCc1ccc(Cc2c[nH]cn2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
CYP2D6 P10635 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 2/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 2/20 0.59
CYP2C19 P33261 1/20 0.59
GFER P55789 1/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MCHR1 Q99705 4/20 0.54
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
SNCA P37840 1/20 0.51

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
SCHEMBL6967911 1.00 NPC1 (0.59) NPC1RAB9ACYP2D6SMN1; SMN2CYP1A2
SCHEMBL6972506 0.92 NPC1 (0.60) NPC1RAB9ACYP2D6SMN1; SMN2CYP1A2
SCHEMBL6962291 0.92 NPC1 (0.60) NPC1RAB9ACYP2D6SMN1; SMN2CYP1A2
SCHEMBL6960067 0.88 MEN1 (0.56) RAB9ASMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL6961677 0.88 MEN1 (0.56) RAB9ASMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL1300384 0.87 NPC1 (0.52) NPC1RAB9ACYP2D6SMN1; SMN2CYP1A2
SCHEMBL6973817 0.82 POLB (0.53) NPC1RAB9ACYP2D6SMN1; SMN2CYP1A2
SCHEMBL6968562 0.82 POLB (0.53) NPC1RAB9ACYP2D6SMN1; SMN2CYP1A2
SCHEMBL8313130 0.81 MAPT (0.61) SMN1; SMN2CYP1A2MAPTGAAALDH1A1
SCHEMBL21820359 0.80 RAB9A (0.46) NPC1RAB9ACYP2D6SMN1; SMN2CYP1A2

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