SCHEMBL3906138

SCHEMBL3906138

O=C(NCCF)NCC(c1ccccc1)c1cccc(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.46
P2RX7 Q99572 4/20 0.42
OPRL1 P41146 3/20 0.39
OPRM1 P35372 2/20 0.39
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL3903074 0.90 CASR (0.50) CASRP2RX7OPRL1OPRM1HPGD
SCHEMBL3907315 0.83 GAA (0.43) CASROPRL1OPRM1
SCHEMBL3910248 0.80 SLC6A4 (0.49) CASROPRL1OPRM1HPGD
SCHEMBL3908089 0.79 CASR (0.53) CASRP2RX7OPRL1NPC1RAB9A
SCHEMBL3905074 0.79 CASR (0.53) CASRP2RX7OPRL1OPRM1NPC1
SCHEMBL3908102 0.78 CASR (0.47) CASROPRL1OPRM1HPGDNPC1
SCHEMBL3903167 0.78 OPRM1 (0.44) CASRP2RX7OPRL1OPRM1CRHBP
SCHEMBL3908324 0.78 MEN1 (0.46) CASROPRM1HPGD
SCHEMBL3905381 0.78 CASR (0.45) CASRP2RX7OPRL1
SCHEMBL3906098 0.77 OPRL1 (0.56) CASROPRL1OPRM1

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP claimed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO claimed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed