SCHEMBL13594560

SCHEMBL13594560

CCCNCc1cn(Cc2ccc(F)cc2)c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)C(CCCNC(=N)N)NC(C)=O)cc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 10/20 0.50
▸ NPY4R P50391 4/20 0.40
▸ NPY1R P25929 3/20 0.40
▸ NPY2R P49146 3/20 0.40
▸ NPY5R Q15761 3/20 0.40
▸ KISS1R Q969F8 2/20 0.39
▸ MC4R P32245 4/20 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
SCHEMBL13594357 1.00 F2R (0.50) F2RNPY4RNPY1RNPY2RNPY5R
SCHEMBL13594343 0.89 F2R (0.45) F2RNPY4RNPY1RNPY2RNPY5R
SCHEMBL13594358 0.83 F2R (0.44) F2RKISS1R
SCHEMBL4402395 0.82 HASPIN (0.47) F2R
SCHEMBL4407483 0.81 F2R (0.57) F2R
SCHEMBL4405572 0.77 F2R (0.55) F2R
SCHEMBL10944144 0.76 GNPAT (0.59) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL13563435 0.71 KISS1R (0.62) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL12792618 0.71 KISS1R (0.62) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30045851 0.70 KISS1R (0.61) NPY4RNPY1RNPY2RNPY5RKISS1R

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-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 — — US disclosed
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