SCHEMBL3906134

SCHEMBL3906134

Cc1cccc(CCNC(=O)NCCF)c1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
P2RX7 Q99572 1/20 0.39
MTNR1A P48039 7/20 0.38
MTNR1B P49286 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
NAMPT P43490 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3905806 0.87 P2RX7 (0.42) P2RX7SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3902047 0.86 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL3907851 0.84 HIF1A (0.42) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL3903152 0.82 OPRM1 (0.40) MTNR1ASMN1; SMN2MAPT
SCHEMBL3904588 0.82 P2RX7 (0.42) P2RX7MTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL3905440 0.80 HIF1A (0.40) MTNR1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3910650 0.78 OPRM1 (0.43) MTNR1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3915781 0.77 CNR1 (0.39) MTNR1AMTNR1BNPC1RAB9AMEN1
SCHEMBL3907346 0.75 TAAR1 (0.53) SMN1; SMN2MAPT
SCHEMBL3907196 0.75 S1PR2 (0.39) MTNR1AMTNR1BSMN1; SMN2MAPT

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