SCHEMBL3903152

SCHEMBL3903152

Cc1cccc(CCNC(=O)NCCF)c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 4/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CNR1 P21554 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
THPO P40225 1/20 0.38
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.37
PMP22 Q01453 1/20 0.37
MTNR1A P48039 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 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
SCHEMBL3902047 0.88 MTNR1A (0.39) MAPTLMNACDK4CCND1CNR1
SCHEMBL3907196 0.84 S1PR2 (0.39) OPRM1OPRL1MAPTCNR1MTNR1A
SCHEMBL3906134 0.82 ROCK2 (0.40) MAPTMTNR1ASMN1; SMN2
SCHEMBL3905806 0.81 P2RX7 (0.42) MAPTLMNACDK4CCND1ATM
SCHEMBL3907851 0.81 HIF1A (0.42) OPRM1MAPTLMNAMTNR1AOPRD1
SCHEMBL3910650 0.80 OPRM1 (0.43) OPRM1MAPTLMNACNR1MTNR1A
SCHEMBL3915781 0.79 CNR1 (0.39) OPRM1MAPTLMNACNR1MTNR1A
SCHEMBL3908011 0.78 KMT2A (0.42) MAPTLMNACDK4CCND1CNR1
SCHEMBL3905440 0.76 HIF1A (0.40) OPRM1MAPTLMNATP53MTNR1A
SCHEMBL3904588 0.76 P2RX7 (0.42) MAPTCNR1MTNR1ASMN1; 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 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