SCHEMBL17488334

SCHEMBL17488334

Fc1cc(NC2COC2)cc2[nH]c(NCc3ccc(Oc4ncc(C(F)(F)F)cn4)cc3)nc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.34
PIM1 P11309 1/20 0.33
TRPA1 O75762 1/20 0.33
PDPK1 O15530 1/20 0.32
CACNA1B Q00975 3/20 0.32
PDE9A O76083 3/20 0.32
SCN9A Q15858 2/20 0.32
CACNA1H O95180 1/20 0.32
MCHR1 Q99705 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL17488336 0.91 SCN9A (0.42) SCN9A
SCHEMBL17488339 0.82 GRM4 (0.36) FABP4PIM1
SCHEMBL18965793 0.82 MAPT (0.37) PDPK1CACNA1BSCN9ACACNA1HMCHR1
SCHEMBL17488236 0.79 RAB9A (0.42) CACNA1BCACNA1HMCHR1
SCHEMBL17488043 0.78 RAB9A (0.39) MCHR1
SCHEMBL17488103 0.77 SCN9A (0.47) SCN9AMCHR1
SCHEMBL17488096 0.76 RAB9A (0.42)
SCHEMBL17487492 0.74 CSNK1A1 (0.41) CACNA1BCACNA1H
SCHEMBL17487488 0.74 RAB9A (0.41) FABP4SCN9AMCHR1
SCHEMBL17488131 0.73 MCHR1 (0.41) CACNA1BSCN9ACACNA1HMCHR1

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed