SCHEMBL10779510

SCHEMBL10779510

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(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 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ CXCR4 P61073 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
▸ KISS1R Q969F8 1/20 0.52
▸ MC4R P32245 3/20 0.52
▸ MC5R P33032 2/20 0.52
▸ MC3R P41968 2/20 0.52
▸ MC1R Q01726 2/20 0.52
▸ NMUR2 Q9GZQ4 3/20 0.51
▸ NMUR1 Q9HB89 3/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ GNRHR P30968 1/20 0.50
▸ CCKBR P32239 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
SCHEMBL11392131 0.96 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL10784237 0.95 C5AR1 (0.59) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL10784175 0.95 C5AR1 (0.56) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL10784514 0.95 NMUR2 (0.56) C5AR1MC4RNMUR2NMUR1
SCHEMBL10778825 0.93 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11101995 0.93 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL9353686 0.91 KISS1R (0.55) C5AR1CXCR4KISS1RNMUR2NMUR1
SCHEMBL9726210 0.91 C5AR1 (0.59) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL7621384 0.91 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11103393 0.89 C5AR1 (0.58) C5AR1CXCR4CTSLCTSSCTSK

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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