SCHEMBL3902133

SCHEMBL3902133

O=C(NCCF)NCC(c1cccc(F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.50
OPRL1 P41146 5/20 0.50
TACR1 P25103 2/20 0.45
SLC6A9 P48067 1/20 0.43
PNMT P11086 1/20 0.42
CNR2 P34972 1/20 0.40
BCHE P06276 1/20 0.40
MTOR P42345 1/20 0.40
CES2 O00748 1/20 0.40
ACP3 P15309 1/20 0.40

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
SCHEMBL3906098 0.88 OPRL1 (0.56) OPRM1OPRL1TACR1CNR2MTOR
SCHEMBL3282870 0.78 HDAC1 (0.44) OPRM1OPRL1SLC6A9PNMTCNR2
SCHEMBL3903167 0.76 OPRM1 (0.44) OPRM1OPRL1TACR1CNR2
SCHEMBL3910532 0.74 CASR (0.44) OPRM1OPRL1TACR1SLC6A9CNR2
SCHEMBL3914023 0.74 OPRM1 (0.41) OPRM1OPRL1TACR1CNR2
SCHEMBL3905074 0.74 CASR (0.53) OPRM1OPRL1TACR1SLC6A9ACP3
SCHEMBL3914167 0.74 PNMT (0.59) PNMTACP3
SCHEMBL3904574 0.71 MTNR1A (0.59) BCHE
SCHEMBL3905381 0.71 CASR (0.45) OPRL1TACR1
SCHEMBL3911825 0.71 CNR1 (0.50) OPRM1TACR1CNR2

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