SCHEMBL10589391

SCHEMBL10589391

CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1)C(=O)NC(=O)CC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.51
▸ NMUR2 Q9GZQ4 5/20 0.50
▸ NMUR1 Q9HB89 5/20 0.50
▸ OPRD1 P41143 5/20 0.46
▸ NTSR2 O95665 3/20 0.45
▸ NTSR1 P30989 3/20 0.45
▸ SORT1 Q99523 3/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ NPY4R P50391 3/20 0.45
▸ NPY1R P25929 2/20 0.45
▸ NPY2R P49146 2/20 0.45
▸ NPY5R Q15761 2/20 0.45
▸ CXCR4 P61073 1/20 0.45
▸ APLNR P35414 1/20 0.44

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
SCHEMBL9630723 0.92 NMUR2 (0.55) EPHA2NMUR2NMUR1OPRM1APLNR
SCHEMBL9630682 0.86 NMUR2 (0.57) EPHA2NMUR2NMUR1OPRM1APLNR
SCHEMBL9629930 0.86 NMUR2 (0.56) EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL9727482 0.85 EPHA2 (0.55) EPHA2NMUR2NMUR1OPRM1APLNR
SCHEMBL9631369 0.84 GNRHR (0.56) EPHA2NMUR2NMUR1CXCR4
SCHEMBL9629910 0.81 NMUR2 (0.63) EPHA2NMUR2NMUR1OPRD1NPY4R
SCHEMBL10586963 0.81 NMUR2 (0.57) EPHA2NMUR2NMUR1OPRM1NPY4R
SCHEMBL9629866 0.80 NMUR2 (0.58) EPHA2NMUR2NMUR1OPRM1APLNR
SCHEMBL9632015 0.80 EPHA2 (0.56) EPHA2NMUR2NMUR1OPRM1
SCHEMBL9630737 0.80 KISS1R (0.57) EPHA2CXCR4

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-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
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