SCHEMBL2855728

SCHEMBL2855728

CC(C)(C)OC(=O)NCCCNC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
DRD2 P14416 5/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPV1 Q8NER1 3/20 0.40
LMNA P02545 2/20 0.37
TRPC3 Q13507 2/20 0.37
TRPC1 P48995 1/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
STIM2 Q9P246 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 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
SCHEMBL2860983 0.86 MAPT (0.49) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2852086 0.82 ITGB3 (0.53) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2862263 0.81 MAPT (0.47) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2880891 0.81 CNR1 (0.54) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL2855846 0.81 CNR1 (0.55) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL2858063 0.80 MAPT (0.57) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2856795 0.80 NPC1 (0.46) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2854478 0.80 ITGB3 (0.46) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2856146 0.79 CNR1 (0.53) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL2852253 0.78 CYP1A2 (0.62) MAPTNPC1RAB9ALMNA

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