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SCHEMBL9629899

SCHEMBL9629899

CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)[C@H](COC(=O)C(F)(F)F)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 9/20 0.53
▸ OPRD1 P41143 2/20 0.49
▸ TACR1 P25103 1/20 0.49
▸ OPRM1 P35372 6/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.48

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
SCHEMBL9630848 0.88 KISS1R (0.62) KISS1RCXCR4
SCHEMBL16636399 0.79 KISS1R (0.73) KISS1ROPRM1OPRK1IL23R
SCHEMBL29350708 0.79 DPP3 (0.64) KISS1RCXCR4IL23R
SCHEMBL9630737 0.79 KISS1R (0.57) KISS1RCXCR4
SCHEMBL30288110 0.79 KISS1R (0.61) KISS1RCXCR4
SCHEMBL38662279 0.78 KISS1R (0.58) KISS1RCXCR4
SCHEMBL29697181 0.78 CXCR4 (0.66) KISS1ROPRM1OPRK1CXCR4
SCHEMBL5167437 0.78 KISS1R (0.67) KISS1RCXCR4
SCHEMBL5167427 0.78 KISS1R (0.67) KISS1RCXCR4
SCHEMBL30716436 0.77 KISS1R (0.63) KISS1ROPRM1CXCR4IL23R

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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