SCHEMBL9727482

SCHEMBL9727482

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)NCN1CCOCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.55
▸ NMUR2 Q9GZQ4 8/20 0.55
▸ NMUR1 Q9HB89 8/20 0.55
▸ APLNR P35414 3/20 0.48
▸ GNRHR P30968 2/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ MRGPRX2 Q96LB1 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ KISS1R Q969F8 1/20 0.45
▸ PTGS1 P23219 1/20 0.45

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 0.93 NMUR2 (0.55) EPHA2NMUR2NMUR1APLNRGNRHR
SCHEMBL9630682 0.88 NMUR2 (0.57) EPHA2NMUR2NMUR1APLNRGNRHR
SCHEMBL9629910 0.88 NMUR2 (0.63) EPHA2NMUR2NMUR1APLNR
SCHEMBL9629930 0.88 NMUR2 (0.56) EPHA2NMUR2NMUR1APLNRGNRHR
SCHEMBL9629866 0.87 NMUR2 (0.58) EPHA2NMUR2NMUR1APLNRGNRHR
SCHEMBL10589391 0.85 EPHA2 (0.51) EPHA2NMUR2NMUR1APLNROPRM1
SCHEMBL9852750 0.84 NPY4R (0.58) EPHA2NMUR2NMUR1OPRM1KISS1R
SCHEMBL9631369 0.82 GNRHR (0.56) EPHA2NMUR2NMUR1GNRHRKISS1R
SCHEMBL10588690 0.82 NPY4R (0.61) NMUR2NMUR1
SCHEMBL10586963 0.81 NMUR2 (0.57) EPHA2NMUR2NMUR1GNRHRDRD1

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 — — US disclosed
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