SCHEMBL9629866

SCHEMBL9629866

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)NCCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 8/20 0.58
▸ NMUR1 Q9HB89 8/20 0.58
▸ EPHA2 P29317 2/20 0.50
▸ APLNR P35414 2/20 0.50
▸ KISS1R Q969F8 4/20 0.49
▸ ABCB11 O95342 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ OPRM1 P35372 2/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ GNRHR P30968 1/20 0.48
▸ MRGPRX2 Q96LB1 1/20 0.48
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL9630682 0.90 NMUR2 (0.57) NMUR2NMUR1EPHA2APLNRABCB11
SCHEMBL9629910 0.90 NMUR2 (0.63) NMUR2NMUR1EPHA2APLNR
SCHEMBL9629930 0.89 NMUR2 (0.56) NMUR2NMUR1EPHA2APLNRABCB11
SCHEMBL9630723 0.88 NMUR2 (0.55) NMUR2NMUR1EPHA2APLNRABCB11
SCHEMBL9727482 0.87 EPHA2 (0.55) NMUR2NMUR1EPHA2APLNRKISS1R
SCHEMBL9852750 0.84 NPY4R (0.58) NMUR2NMUR1EPHA2KISS1ROPRM1
SCHEMBL9852740 0.84 NMUR2 (0.51) NMUR2NMUR1EPHA2APLNRABCB11
SCHEMBL11318469 0.82 PTGS1 (0.65) NMUR2NMUR1EPHA2APLNRKDM1A
SCHEMBL11317477 0.82 PTGS1 (0.65) NMUR2NMUR1EPHA2APLNRKDM1A
SCHEMBL11315109 0.82 PTGS1 (0.65) NMUR2NMUR1EPHA2APLNRKDM1A

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 5 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
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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