SCHEMBL7372422

SCHEMBL7372422

Cc1nc(-c2ccccc2C(F)(F)F)[nH]c1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.57
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TEK Q02763 1/20 0.46
TRPA1 O75762 3/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
KMT2A Q03164 1/20 0.41
DGAT1 O75907 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LDHA P00338 1/20 0.41
EPHX2 P34913 1/20 0.41
PARP1 P09874 1/20 0.40
PTGES O14684 1/20 0.40
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
PDE10A Q9Y233 1/20 0.40
HSD11B1 P28845 1/20 0.39
NPC1 O15118 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
SCHEMBL7369715 0.83 CYP11B1 (0.52) NPY5RCYP11B1CYP11B2TEKKMT2A
SCHEMBL7370892 0.83 NPY5R (0.57) NPY5RCYP11B1CYP11B2TEKKMT2A
SCHEMBL7369697 0.81 NPY5R (0.54) NPY5RCYP11B1CYP11B2TEKKMT2A
SCHEMBL7370832 0.81 CYP11B1 (0.52) NPY5RCYP11B1CYP11B2KMT2AKDM4E
SCHEMBL7376655 0.81 MGAM (0.52) NPY5RCYP11B1CYP11B2KMT2AKDM4E
SCHEMBL27692933 0.79 CYP11B1 (0.50) NPY5RCYP11B1CYP11B2TEKTRPA1
SCHEMBL7372656 0.79 ALOX5 (0.50) NPY5RCYP11B1CYP11B2KMT2AKDM4E
Hydrochloric Acid SCHEMBL7369410 0.78 PDE5A (0.58) NPY5RCYP11B1CYP11B2KMT2AALDH1A1
SCHEMBL12692422 0.76 NPY5R (0.64) NPY5RCYP11B1CYP11B2TRPA1TRPM8
SCHEMBL7372737 0.76 MGAM (0.52) NPY5RCYP11B1CYP11B2PTGESUSP1

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
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed