SCHEMBL1401262

SCHEMBL1401262

CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)N)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
PLAU P00749 2/20 0.42
CAPN1 P07384 1/20 0.42
TACR1 P25103 8/20 0.42
GHSR Q92847 1/20 0.40

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
SCHEMBL1401107 0.86 TACR1 (0.42) F10PLAUTACR1
SCHEMBL1401110 0.86 TACR1 (0.42) F10PLAUTACR1
SCHEMBL1401068 0.84 GHSR (0.53) TACR1GHSR
SCHEMBL1401593 0.83 F2 (0.50) CAPN1TACR1GHSR
SCHEMBL866609 0.82 GHSR (0.44) F10PLAUTACR1GHSR
SCHEMBL1401268 0.82 OPRD1 (0.48) CAPN1TACR1GHSR
SCHEMBL1401188 0.82 OPRD1 (0.44) F10PLAUCAPN1TACR1GHSR
SCHEMBL7899274 0.81 GHSR (0.38) F10PLAUTACR1GHSR
SCHEMBL1401284 0.81 HSD17B10 (0.47) F10PLAUCAPN1GHSR
SCHEMBL1401075 0.79 TACR1 (0.47) TACR1

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
EP-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 EP claimed