Sugi Predict

Sugi Predict / Compounds / SCHEMBL9631356

SCHEMBL9631356

SCHEMBL9631356

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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1c[nH]cn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.62
▸ CTSL P07711 2/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSK P43235 2/20 0.55
▸ CTSH P09668 1/20 0.55
▸ GNRHR P30968 2/20 0.55
▸ CXCR4 P61073 7/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ ABCC2 Q92887 1/20 0.54
▸ APLNR P35414 1/20 0.54
▸ CXCL8 P10145 1/20 0.53
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ KISS1R Q969F8 1/20 0.53

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
SCHEMBL11662570 0.91 GNRHR (0.64) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29942618 0.89 C5AR1 (0.64) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30271248 0.89 C5AR1 (0.64) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL7546524 0.89 GNRHR (0.61) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31321079 0.89 GNRHR (0.61) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29459900 0.89 C5AR1 (0.65) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31351848 0.88 C5AR1 (0.68) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29619597 0.88 C5AR1 (0.67) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL11033870 0.88 C5AR1 (0.65) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29391110 0.88 C5AR1 (0.64) C5AR1CTSLCTSSCTSKCTSH

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