SCHEMBL7546524

SCHEMBL7546524

CCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.61
C5AR1 P21730 2/20 0.60
ABCC2 Q92887 1/20 0.60
PTGS1 P23219 1/20 0.56
MC4R P32245 2/20 0.55
MC5R P33032 2/20 0.55
MC3R P41968 2/20 0.55
MC1R Q01726 2/20 0.55
KISS1R Q969F8 3/20 0.53
APLNR P35414 1/20 0.53
CXCR4 P61073 3/20 0.53
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
CTSH P09668 1/20 0.52
NMBR P28336 1/20 0.52
GRPR P30550 1/20 0.52
NMUR2 Q9GZQ4 1/20 0.52
NMUR1 Q9HB89 1/20 0.52

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
SCHEMBL31321079 1.00 GNRHR (0.61) GNRHRC5AR1ABCC2PTGS1MC4R
SCHEMBL29942618 0.95 C5AR1 (0.64) GNRHRC5AR1ABCC2PTGS1MC4R
SCHEMBL30271248 0.95 C5AR1 (0.64) GNRHRC5AR1ABCC2PTGS1MC4R
SCHEMBL29459900 0.93 C5AR1 (0.65) GNRHRC5AR1ABCC2PTGS1MC4R
SCHEMBL5200355 0.93 GNRHR (0.64) GNRHRC5AR1ABCC2PTGS1KISS1R
SCHEMBL11033870 0.92 C5AR1 (0.65) GNRHRC5AR1ABCC2PTGS1MC4R
Deslorelin SCHEMBL25353366 0.92 GNRHR (0.74) GNRHRC5AR1ABCC2PTGS1APLNR
Leuprolide SCHEMBL14190828 0.92 GNRHR (0.74) GNRHRC5AR1ABCC2PTGS1APLNR
Leuprolide SCHEMBL172917 0.92 GNRHR (0.74) GNRHRC5AR1ABCC2PTGS1APLNR
Deslorelin SCHEMBL59413 0.92 GNRHR (0.74) GNRHRC5AR1ABCC2PTGS1APLNR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039996-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING ESTRAMUSTINE PHOSPHATE AND LHRH AGONISTS OR ANTAGONISTS PHARMACIA & UP JOHN COMPANY (US) 2002-05-23 WO disclosed