SCHEMBL3903074

SCHEMBL3903074

O=C(NCCF)NCC(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.50
P2RX7 Q99572 3/20 0.42
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
OPRL1 P41146 3/20 0.40
OPRM1 P35372 2/20 0.40
ACP3 P15309 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38

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
SCHEMBL3906138 0.90 CASR (0.46) CASRP2RX7HPGDCRHBPCRHR2
SCHEMBL3907315 0.85 GAA (0.43) CASROPRL1OPRM1
SCHEMBL3908089 0.83 CASR (0.53) CASRP2RX7NPC1RAB9AOPRL1
SCHEMBL3910248 0.82 SLC6A4 (0.49) CASRHPGDOPRL1OPRM1
SCHEMBL3908324 0.82 MEN1 (0.46) CASRHPGDOPRM1
SCHEMBL3905381 0.82 CASR (0.45) CASRP2RX7OPRL1
SCHEMBL3905074 0.80 CASR (0.53) CASRP2RX7NPC1RAB9AOPRL1
SCHEMBL3908102 0.79 CASR (0.47) CASRHPGDNPC1RAB9AOPRL1
SCHEMBL3903167 0.79 OPRM1 (0.44) CASRP2RX7CRHBPCRHR2OPRL1
SCHEMBL3911825 0.79 CNR1 (0.50) CASROPRM1

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
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