SCHEMBL2854478

SCHEMBL2854478

CCN(CC)CCNC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MCHR1 Q99705 1/20 0.41
TRPC3 Q13507 2/20 0.40
RAD52 P43351 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPC1 P48995 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39

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
SCHEMBL2852086 0.94 ITGB3 (0.53) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL2860983 0.87 MAPT (0.49) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL2854101 0.84 MAPT (0.48) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2862263 0.84 MAPT (0.47) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2880891 0.83 CNR1 (0.54) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL2848233 0.83 LMNA (0.46) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL2858063 0.82 MAPT (0.57) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2854401 0.81 RAB9A (0.46) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2856146 0.81 CNR1 (0.53) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL2856795 0.80 NPC1 (0.46) MAPTNPC1RAB9ANPSR1TRPV1

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