SCHEMBL2857734

SCHEMBL2857734

Nc1ccc(CCNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.49
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2880891 0.95 CNR1 (0.54) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2852504 0.91 CNR1 (0.56) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2856146 0.90 CNR1 (0.53) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2855846 0.84 CNR1 (0.55) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2854327 0.83 CNR1 (0.58) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2860983 0.82 MAPT (0.49) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL2858063 0.82 MAPT (0.57) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL2862263 0.81 MAPT (0.47) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2855610 0.81 CNR1 (0.58) CNR1MAPTNPC1RAB9ANPSR1
SCHEMBL2852316 0.81 NPC1 (0.47) CNR1MAPTNPC1RAB9ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed