SCHEMBL28057532

SCHEMBL28057532

NC(=O)CCc1ccc(O)cc1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.62
MPO P05164 2/20 0.44
TYR P14679 1/20 0.44
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL11058348 0.85 TYR (0.63) TYR
SCHEMBL437626 0.84 CHRNA7 (0.64) CHRNA7FFAR1FFAR4POLB
SCHEMBL9160970 0.84 MPO (0.56) CHRNA7MPOFFAR1FFAR4
SCHEMBL1404941 0.82 CHRNA7 (0.62) CHRNA7TYRFFAR1FFAR4POLB
SCHEMBL29837313 0.81 CHRNA7 (0.49) CHRNA7TYR
SCHEMBL24632659 0.81 FFAR1 (0.49) CHRNA7MPOFFAR1FFAR4
SCHEMBL26938435 0.81 PDPK1 (0.56) CHRNA7MPOFFAR1FFAR4
SCHEMBL7699472 0.80 TYR (0.41) CHRNA7MPOTYR
SCHEMBL3972328 0.79 TAAR1 (0.54) CHRNA7TYR
SCHEMBL28179666 0.79 HSD17B10 (0.42) CHRNA7TYR

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
CN-103200820-B As the substd quinolines compound of GSNO reductase inhibitor Nivalis Therapeutics (US) 2016-04-06 CN disclosed