SCHEMBL9726210

SCHEMBL9726210

CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)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)[C@@H](N)CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.59
▸ CCKBR P32239 3/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ MC4R P32245 2/20 0.51
▸ MC5R P33032 2/20 0.51
▸ MC3R P41968 2/20 0.51
▸ MC1R Q01726 2/20 0.51
▸ CXCR4 P61073 3/20 0.50
▸ APLNR P35414 1/20 0.50
▸ NMUR2 Q9GZQ4 3/20 0.49
▸ NMUR1 Q9HB89 3/20 0.49

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
SCHEMBL10784237 0.96 C5AR1 (0.59) C5AR1CCKBRCTSLCTSSCTSK
SCHEMBL11392131 0.95 C5AR1 (0.58) C5AR1CCKBRCTSLCTSSCTSK
SCHEMBL11101417 0.93 C5AR1 (0.59) C5AR1CCKBRCTSLCTSSCTSK
SCHEMBL10779510 0.91 C5AR1 (0.58) C5AR1CCKBRCTSLCTSSCTSK
SCHEMBL10784175 0.90 C5AR1 (0.56) C5AR1CCKBRCTSLCTSSCTSK
SCHEMBL11326066 0.89 C5AR1 (0.59) C5AR1CCKBRCTSLCTSSCTSK
SCHEMBL11103393 0.89 C5AR1 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL7621384 0.87 C5AR1 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL11033870 0.87 C5AR1 (0.65) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29391110 0.87 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116817-A LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1992-05-26 — — US disclosed
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 — — EP disclosed
US-4476116-A HORMONES; PROTEINS; ENZYMERS SYNTEX (U.S.A.) INC. (US) 1984-10-09 — — US disclosed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 — — EP disclosed
EP-0111841-A1 LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1984-06-27 — — EP disclosed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 — — EP disclosed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 — — US disclosed
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