SCHEMBL30469239

SCHEMBL30469239

O=C(Nc1ccc(Cl)cc1)Nc1cccc(OC2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.55
EPHX2 P34913 2/20 0.54
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
KLKB1 P03952 1/20 0.53
PRSS1 P07477 1/20 0.53
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
EPHX1 P07099 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL20557908 1.00 CNR1 (0.55) CNR1EPHX2F2PLGPLAU
SCHEMBL19707994 0.79 EPHX2 (0.53) EPHX2NPC1RAB9AEPHX1SMN1; SMN2
SCHEMBL30469272 0.78 CNR1 (0.84) CNR1NPC1MAPTRAB9ACYP2C9
SCHEMBL4117269 0.78 CNR1 (0.84) CNR1NPC1MAPTRAB9ACYP2C9
SCHEMBL21757192 0.77 CNR1 (0.60) CNR1EPHX2NPC1MAPTRAB9A
SCHEMBL4117939 0.76 CNR1 (0.64) CNR1EPHX2NPC1MAPTRAB9A
SCHEMBL4105980 0.76 CNR1 (0.85) CNR1NPC1MAPTRAB9ACYP2C9
SCHEMBL11175525 0.75 F2 (0.54) F2PLGPLAUPLATKLKB1
SCHEMBL21295553 0.75 PDE4B (0.55) EPHX2NPC1MAPTRAB9AEPHX1
SCHEMBL4106738 0.75 NPC1 (0.64) CNR1EPHX2NPC1MAPTRAB9A

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
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN claimed
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed