SCHEMBL14583979

SCHEMBL14583979

CNC(=N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.43
▸ PADI4 Q9UM07 2/20 0.43
▸ PSMB1 P20618 2/20 0.43
▸ PSMB5 P28074 2/20 0.43
▸ PSMB2 P49721 2/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ PSMB9 P28065 1/20 0.43
▸ PSMB10 P40306 1/20 0.43
▸ KISS1R Q969F8 2/20 0.42
▸ NPY1R P25929 5/20 0.42
▸ REN P00797 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ TLR2 O60603 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
SCHEMBL14583989 0.88 NPY4R (0.40) KISS1RNPY1RNPY2RNPY5R
SCHEMBL14583981 0.86 KLKB1 (0.47) KLKB1PADI4PSMB1PSMB5PSMB2
SCHEMBL14090268 0.79 CA1 (0.49) KLKB1PSMB1PSMB5PSMB2PSMB8
SCHEMBL12214556 0.79 NPY4R (0.50) KISS1RNPY1RNPY2RNPY5R
SCHEMBL14531580 0.78 FNTA (0.47) KISS1R
SCHEMBL24109806 0.75 NPY4R (0.54) KISS1RNPY1RNPY2RNPY5R
SCHEMBL14090280 0.73 NPY1R (0.50) KLKB1PSMB1PSMB5PSMB2PSMB8
SCHEMBL22503596 0.73 MME (0.52) —
SCHEMBL20540754 0.73 MME (0.52) —
SCHEMBL22503737 0.73 MME (0.52) —

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
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 — — US disclosed
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