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SCHEMBL9632015

SCHEMBL9632015

CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.56
▸ NMUR2 Q9GZQ4 8/20 0.53
▸ NMUR1 Q9HB89 8/20 0.53
▸ OPRM1 P35372 6/20 0.51
▸ GNRHR P30968 2/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ MRGPRX2 Q96LB1 1/20 0.51
▸ ABCB11 O95342 1/20 0.50
▸ KDM1A O60341 2/20 0.49
▸ OPRK1 P41145 5/20 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
SCHEMBL9630723 0.88 NMUR2 (0.55) EPHA2NMUR2NMUR1OPRM1GNRHR
SCHEMBL9852750 0.85 NPY4R (0.58) EPHA2NMUR2NMUR1OPRM1
SCHEMBL9630682 0.82 NMUR2 (0.57) EPHA2NMUR2NMUR1OPRM1GNRHR
SCHEMBL10588690 0.82 NPY4R (0.61) NMUR2NMUR1
SCHEMBL9629930 0.82 NMUR2 (0.56) EPHA2NMUR2NMUR1OPRM1GNRHR
SCHEMBL9630737 0.81 KISS1R (0.57) EPHA2GNRHR
SCHEMBL9727482 0.81 EPHA2 (0.55) EPHA2NMUR2NMUR1OPRM1GNRHR
SCHEMBL10589391 0.80 EPHA2 (0.51) EPHA2NMUR2NMUR1OPRM1
SCHEMBL9631369 0.80 GNRHR (0.56) EPHA2NMUR2NMUR1GNRHR
SCHEMBL9728009 0.79 NMUR2 (0.53) EPHA2NMUR2NMUR1OPRM1KDM1A

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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