SCHEMBL10778825

SCHEMBL10778825

Cc1cc(C)c(C[C@@H](N)C(=O)N(C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)NCC(N)=O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ CXCR4 P61073 5/20 0.52
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSH P09668 1/20 0.51
▸ KISS1R Q969F8 1/20 0.51
▸ MC4R P32245 3/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ GNRHR P30968 1/20 0.50
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ GLP1R P43220 1/20 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
SCHEMBL10779510 0.93 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11101995 0.92 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11392131 0.89 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL10784237 0.89 C5AR1 (0.59) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL10784175 0.89 C5AR1 (0.56) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29391299 0.89 C5AR1 (0.68) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11103393 0.88 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL10784514 0.88 NMUR2 (0.56) C5AR1MC4R
SCHEMBL11326066 0.88 C5AR1 (0.59) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11324467 0.87 C5AR1 (0.53) C5AR1MC4R

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
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 — — EP 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
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