SCHEMBL3907145

SCHEMBL3907145

NCCc1cccnc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
MAPK14 Q16539 3/20 0.44
TAAR1 Q96RJ0 5/20 0.44
DPP4 P27487 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
HRH1 P35367 1/20 0.38
SYK P43405 1/20 0.38
TGFBR1 P36897 1/20 0.37
BCHE P06276 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPK10 P53779 1/20 0.37
MYC P01106 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3711456 0.86 DPP4 (0.50) MAPK14DPP4CYP1A2CYP2C19MAPK13
SCHEMBL3911088 0.83 TAAR1 (0.50) MAOBTAAR1DPP4CYP1A2SYK
SCHEMBL3719145 0.81 TRPV1 (0.47) MAPK14CYP1A2CYP2C19BCHEMAPK10
SCHEMBL6579440 0.80 NPC1 (0.40) MAPK14MYCTRPV1
SCHEMBL3907000 0.80 DPP4 (0.44) TAAR1DPP4CYP1A2CYP2C19HRH1
Hydrochloric Acid SCHEMBL9030551 0.79 TRPV1 (0.46) MAPK14CYP1A2CYP2C19BCHEMAPK10
SCHEMBL3708397 0.79 MAPK14 (0.43) MAPK14DPP4CYP1A2CYP2C19MAPK13
SCHEMBL3906092 0.77 DPP4 (0.55) MAOBTAAR1DPP4HRH1
SCHEMBL30211300 0.76 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL30007391 0.76 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11TGFBR1

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