SCHEMBL9630848

SCHEMBL9630848

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(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 11/20 0.62
▸ GNRHR P30968 1/20 0.58
▸ ABCC2 Q92887 1/20 0.58
▸ PTGS1 P23219 1/20 0.57
▸ C5AR1 P21730 1/20 0.57
▸ CXCR4 P61073 2/20 0.56
▸ CXCL8 P10145 1/20 0.56
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56

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
SCHEMBL9630737 0.91 KISS1R (0.57) KISS1RGNRHRABCC2PTGS1C5AR1
SCHEMBL9852741 0.89 KISS1R (0.67) KISS1R
SCHEMBL30387715 0.89 KISS1R (0.62) KISS1RGNRHRABCC2PTGS1C5AR1
SCHEMBL29619534 0.88 GNRHR (0.65) KISS1RGNRHRABCC2PTGS1C5AR1
SCHEMBL11793620 0.88 ABCC2 (0.64) KISS1RGNRHRABCC2CXCR4CXCL8
SCHEMBL9629899 0.88 KISS1R (0.53) KISS1RCXCR4
SCHEMBL11660497 0.87 GNRHR (0.69) KISS1RGNRHRABCC2PTGS1
SCHEMBL11662009 0.87 GNRHR (0.69) KISS1RGNRHRABCC2PTGS1
SCHEMBL11662308 0.87 GNRHR (0.69) KISS1RGNRHRABCC2PTGS1
SCHEMBL11096187 0.87 KISS1R (0.64) KISS1RGNRHRABCC2PTGS1CXCR4

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 4 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
Send feedback