SCHEMBL9630682

SCHEMBL9630682

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 8/20 0.57
▸ NMUR1 Q9HB89 8/20 0.57
▸ APLNR P35414 4/20 0.50
▸ EPHA2 P29317 3/20 0.49
▸ GNRHR P30968 2/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ MRGPRX2 Q96LB1 1/20 0.48
▸ ABCB11 O95342 1/20 0.47
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL9629930 0.95 NMUR2 (0.56) NMUR2NMUR1APLNREPHA2GNRHR
SCHEMBL9630723 0.95 NMUR2 (0.55) NMUR2NMUR1APLNREPHA2GNRHR
SCHEMBL9629910 0.91 NMUR2 (0.63) NMUR2NMUR1APLNREPHA2
SCHEMBL9629866 0.90 NMUR2 (0.58) NMUR2NMUR1APLNREPHA2GNRHR
SCHEMBL9727482 0.88 EPHA2 (0.55) NMUR2NMUR1APLNREPHA2GNRHR
SCHEMBL10589391 0.86 EPHA2 (0.51) NMUR2NMUR1APLNREPHA2OPRM1
SCHEMBL9852750 0.85 NPY4R (0.58) NMUR2NMUR1EPHA2OPRM1
SCHEMBL9631369 0.84 GNRHR (0.56) NMUR2NMUR1EPHA2GNRHRPTGS1
SCHEMBL10586963 0.83 NMUR2 (0.57) NMUR2NMUR1EPHA2GNRHRDRD1
SCHEMBL9632015 0.82 EPHA2 (0.56) NMUR2NMUR1EPHA2GNRHRDRD1

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 6 patents. 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
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 — — EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 — — EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 — — EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 — — WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
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