SCHEMBL9631369

SCHEMBL9631369

CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 2/20 0.56
▸ ABCC2 Q92887 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ KISS1R Q969F8 4/20 0.53
▸ EPHA2 P29317 1/20 0.52
▸ NMUR2 Q9GZQ4 3/20 0.52
▸ NMUR1 Q9HB89 3/20 0.52
▸ CXCL8 P10145 2/20 0.52
▸ CAPN1 P07384 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ CXCR4 P61073 2/20 0.50
▸ C5AR1 P21730 1/20 0.50

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 0.96 KISS1R (0.57) GNRHRABCC2PTGS1KISS1REPHA2
SCHEMBL9630723 0.89 NMUR2 (0.55) GNRHRABCC2PTGS1EPHA2NMUR2
SCHEMBL9630848 0.87 KISS1R (0.62) GNRHRABCC2PTGS1KISS1RCXCL8
SCHEMBL9852696 0.85 KISS1R (0.59) KISS1R
SCHEMBL29619534 0.85 GNRHR (0.65) GNRHRABCC2PTGS1KISS1RCXCR4
SCHEMBL11310188 0.84 PTGS1 (0.72) GNRHRABCC2PTGS1KISS1RNMUR2
SCHEMBL10589391 0.84 EPHA2 (0.51) EPHA2NMUR2NMUR1CXCR4
SCHEMBL9630682 0.84 NMUR2 (0.57) GNRHRPTGS1EPHA2NMUR2NMUR1
SCHEMBL30387715 0.83 KISS1R (0.62) GNRHRABCC2PTGS1KISS1RCXCR4
SCHEMBL9629930 0.83 NMUR2 (0.56) GNRHRABCC2PTGS1EPHA2NMUR2

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