SCHEMBL199036

SCHEMBL199036

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ APLNR P35414 2/20 0.48
▸ OPRM1 P35372 9/20 0.47
▸ OPRK1 P41145 9/20 0.47
▸ MC4R P32245 1/20 0.47
▸ C5AR1 P21730 1/20 0.46
▸ EPHA2 P29317 1/20 0.44
▸ CXCR4 P61073 1/20 0.43

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
SCHEMBL198945 0.94 APLNR (0.53) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29634120 0.87 CTSL (0.47) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL198097 0.86 APLNR (0.51) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL31265397 0.82 CTSL (0.57) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL197800 0.82 APLNR (0.49) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL4804770 0.82 APLNR (0.55) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL4804787 0.82 APLNR (0.55) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL197746 0.82 OPRM1 (0.54) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL4303904 0.82 OPRM1 (0.54) APLNROPRM1OPRK1MC4RC5AR1
SCHEMBL1029282 0.81 OPRM1 (0.52) CTSLCTSSCTSKCTSHAPLNR

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-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 — — US disclosed
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