SCHEMBL4457337

SCHEMBL4457337

Cn1ccc(-c2cccc(NC(=O)NC3C4CN(c5ccc(F)cc5F)CC43)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.41
CCKBR P32239 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
USP30 Q70CQ3 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
CREBBP Q92793 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNJ6 P48051 2/20 0.37
KCNJ3 P48549 2/20 0.37
CNR2 P34972 3/20 0.36
MAPT P10636 1/20 0.36
GPR142 Q7Z601 1/20 0.36
EPHX2 P34913 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
SCHEMBL4457335 1.00 CNR1 (0.41) CNR1CCKBRNPC1RAB9AUSP30
SCHEMBL13783790 1.00 CNR1 (0.41) CNR1CCKBRNPC1RAB9AUSP30
SCHEMBL4455620 0.86 ALDH1A1 (0.45) CNR1CCKBRNPC1RAB9AGAA
SCHEMBL13783791 0.86 ALDH1A1 (0.45) CNR1CCKBRNPC1RAB9AGAA
SCHEMBL4455625 0.86 ALDH1A1 (0.45) CNR1CCKBRNPC1RAB9AGAA
SCHEMBL13783917 0.84 CNR1 (0.41) CNR1CCKBRNPC1RAB9AGAA
SCHEMBL4456054 0.83 MEN1 (0.48) CNR1CCKBRNPC1RAB9ASMN1; SMN2
SCHEMBL4456059 0.83 MEN1 (0.48) CNR1CCKBRNPC1RAB9ASMN1; SMN2
SCHEMBL4458271 0.80 SMN1; SMN2 (0.39) CNR1CCKBRNPC1RAB9AGAA
SCHEMBL13783977 0.80 CCR3 (0.47) CNR1NPC1RAB9AGAASMN1; SMN2

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO claimed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed