SCHEMBL16004106

SCHEMBL16004106

Cc1ccc(COCc2ccc3c(c2)CN(C(=O)Nc2ccc(C)cc2)CCO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 12/20 0.51
HTT P42858 1/20 0.49
CREBBP Q92793 1/20 0.48
MAPT P10636 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2D6 P10635 1/20 0.47
NAMPT P43490 1/20 0.46
FAAH O00519 1/20 0.46
RIPK1 Q13546 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
SCHEMBL16003998 0.91 GPR142 (0.51) GPR142CREBBPALDH1A1SMN1; SMN2RAB9A
SCHEMBL16004158 0.86 RAB9A (0.48) GPR142MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16004088 0.85 GPR142 (0.57) GPR142TAS1R3TAS1R1TAS1R2CYP2D6
SCHEMBL16004096 0.84 MAPT (0.55) GPR142CREBBPMAPTNPC1RAB9A
SCHEMBL16004070 0.84 GPR142 (0.49) GPR142HTTCREBBPMAPTTAS1R3
SCHEMBL16003987 0.83 CREBBP (0.44) GPR142CREBBPMAPTSMN1; SMN2NPC1
SCHEMBL16004092 0.83 GPR142 (0.53) GPR142CREBBPNAMPTRIPK1
SCHEMBL16004156 0.82 GPR142 (0.57) GPR142MAPTALDH1A1RAB9AFAAH
SCHEMBL16004157 0.82 GPR142 (0.58) GPR142NAMPTFAAH
SCHEMBL16004314 0.81 GPR142 (0.56) GPR142SMN1; SMN2NPC1RAB9ACYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014133414-A2 HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ ЛЛС (US) 2014-09-04 WO disclosed