SCHEMBL5200355

SCHEMBL5200355

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)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)C1CCCN1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.64
ABCC2 Q92887 1/20 0.62
C5AR1 P21730 2/20 0.60
PTGS1 P23219 1/20 0.58
KISS1R Q969F8 3/20 0.53
CXCR4 P61073 3/20 0.52
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
CTSH P09668 1/20 0.52
KDM1A O60341 2/20 0.52
APLNR P35414 1/20 0.52
NMBR P28336 1/20 0.51
GRPR P30550 1/20 0.51
NMUR2 Q9GZQ4 1/20 0.51
NMUR1 Q9HB89 1/20 0.51

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
SCHEMBL28663634 0.94 GNRHR (0.65) GNRHRABCC2C5AR1PTGS1CXCR4
SCHEMBL30271248 0.93 C5AR1 (0.64) GNRHRABCC2C5AR1PTGS1KISS1R
SCHEMBL29942618 0.93 C5AR1 (0.64) GNRHRABCC2C5AR1PTGS1KISS1R
Leuprolide SCHEMBL172917 0.93 GNRHR (0.74) GNRHRABCC2C5AR1PTGS1APLNR
Deslorelin SCHEMBL59413 0.93 GNRHR (0.74) GNRHRABCC2C5AR1PTGS1APLNR
Leuprolide SCHEMBL25418953 0.93 GNRHR (0.74) GNRHRABCC2C5AR1PTGS1APLNR
SCHEMBL29588982 0.93 GNRHR (0.74) GNRHRABCC2C5AR1PTGS1APLNR
Leuprolide SCHEMBL14190828 0.93 GNRHR (0.74) GNRHRABCC2C5AR1PTGS1APLNR
Deslorelin SCHEMBL25353366 0.93 GNRHR (0.74) GNRHRABCC2C5AR1PTGS1APLNR
SCHEMBL29750348 0.93 GNRHR (0.74) GNRHRABCC2C5AR1PTGS1APLNR

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-1773870-A2 METHODS FOR THE PRODUCTION OF PEPTIDE HAVING A C-TERMINAL AMIDE Novetide Ltd. (IL) 2007-04-18 EP disclosed
WO-2006119388-A2 METHODS FOR THE PRODUCTION OF PEPTIDE HAVING A C-TERMINAL AMIDE NOVETIDE, LTD. (IL) 2006-11-09 WO disclosed