SCHEMBL7621384

SCHEMBL7621384

CC(C)C[C@H](NC(=O)[C@@H](C)N(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)c1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ CXCR4 P61073 5/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ MC4R P32245 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
▸ GNRHR P30968 1/20 0.52
▸ KISS1R Q969F8 1/20 0.51
▸ MC5R P33032 2/20 0.51
▸ MC3R P41968 2/20 0.51
▸ MC1R Q01726 2/20 0.51
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 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
SCHEMBL10784237 0.91 C5AR1 (0.59) C5AR1CXCR4PTGS1MC4RCTSL
SCHEMBL29391299 0.91 C5AR1 (0.68) C5AR1CXCR4PTGS1MC4RCTSL
SCHEMBL10779510 0.91 C5AR1 (0.58) C5AR1CXCR4PTGS1MC4RCTSL
SCHEMBL11099915 0.89 C5AR1 (0.62) C5AR1CXCR4PTGS1MC4RCTSL
SCHEMBL29754493 0.89 C5AR1 (0.68) C5AR1CXCR4MC4RCTSLCTSS
SCHEMBL11033870 0.88 C5AR1 (0.65) C5AR1CXCR4PTGS1MC4RCTSL
Acetic Acid SCHEMBL29811007 0.88 C5AR1 (0.64) C5AR1CXCR4PTGS1MC4RCTSL
SCHEMBL29391110 0.87 C5AR1 (0.64) C5AR1CXCR4PTGS1MC4RCTSL
SCHEMBL31633744 0.87 C5AR1 (0.68) C5AR1CXCR4PTGS1MC4RCTSL
SCHEMBL9726210 0.87 C5AR1 (0.59) C5AR1CXCR4MC4RCTSLCTSS

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
US-6448031-B1 Process for producing LH-RH derivatives ITOHAM FOODS INC. (JP) 2002-09-10 — — US disclosed
Send feedback