SCHEMBL5494096

SCHEMBL5494096

CON(C(=O)c1cc(Nc2cc(F)cc(N3CCCC3)c2)cnc1C)c1ccc(NCC2CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.42
ITGB3 P05106 4/20 0.35
ITGB1 P05556 4/20 0.35
ITGAV P06756 4/20 0.35
ITGA5 P08648 4/20 0.35
ITGB5 P18084 4/20 0.35
HCRTR1 O43613 8/20 0.33
HCRTR2 O43614 1/20 0.33
ITGA2B P08514 1/20 0.33
ABL1 P00519 1/20 0.33
ACACB O00763 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL5490026 0.99 CRHR1 (0.42) CRHR1ITGB3ITGB1ITGAVITGA5
SCHEMBL4551762 0.90 RPS6KA3 (0.35) CRHR1HCRTR1
SCHEMBL5494098 0.89 CRHR1 (0.42) CRHR1ITGB3ITGB1ITGAVITGA5
SCHEMBL5495528 0.89 RPS6KA3 (0.35) CRHR1HCRTR1
SCHEMBL5490030 0.89 CRHR1 (0.42) CRHR1ITGB3ITGB1ITGAVITGA5
SCHEMBL5490098 0.87 MAPT (0.32)
SCHEMBL4551887 0.86 MAPK3 (0.35) AOC3
SCHEMBL4551483 0.85 MAPK14 (0.39) CRHR1
SCHEMBL4551537 0.84 MAPK14 (0.39) CRHR1
SCHEMBL5490596 0.84 CRHR1 (0.50) CRHR1ITGB3ITGB1ITGAVITGA5

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed