SCHEMBL10784175

SCHEMBL10784175

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NC[N+](N)=O)N(C(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=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 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.56
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CXCR4 P61073 5/20 0.50
▸ MC4R P32245 2/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50
▸ KISS1R Q969F8 1/20 0.49
▸ NMUR2 Q9GZQ4 3/20 0.48
▸ NMUR1 Q9HB89 3/20 0.48
▸ CCKBR P32239 1/20 0.47
▸ ABCC2 Q92887 1/20 0.47

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
SCHEMBL10779510 0.95 C5AR1 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL11392131 0.95 C5AR1 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL10784237 0.90 C5AR1 (0.59) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL9726210 0.90 C5AR1 (0.59) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL10784514 0.90 NMUR2 (0.56) C5AR1MC4RNMUR2NMUR1
SCHEMBL10778825 0.89 C5AR1 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL11101995 0.88 C5AR1 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL11103393 0.88 C5AR1 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL9353686 0.86 KISS1R (0.55) C5AR1CXCR4KISS1RNMUR2NMUR1
Acetic Acid SCHEMBL29811007 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 — — EP disclosed
EP-0111841-A1 LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1984-06-27 — — EP disclosed
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