SCHEMBL7200318

SCHEMBL7200318

CSCCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ MC4R P32245 1/20 0.47
▸ APLNR P35414 2/20 0.47
▸ F2 P00734 4/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ CALCRL Q16602 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ CALCR P30988 3/20 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
SCHEMBL7200319 1.00 CTSL (0.49) CTSLCTSSCTSKCTSHMC4R
SCHEMBL30910841 0.93 CTSL (0.52) CTSLCTSSCTSKCTSHMC4R
SCHEMBL30366772 0.93 MC4R (0.47) MC4RF2OPRM1OPRD1CALCRL
SCHEMBL31050545 0.89 MC4R (0.53) CTSLCTSSCTSKCTSHMC4R
SCHEMBL30015314 0.89 REN (0.53) APLNR
SCHEMBL30366623 0.87 ACE (0.48) OPRM1OPRD1CALCRL
SCHEMBL31437190 0.87 CTSL (0.62) CTSLCTSSCTSKCTSHMC4R
SCHEMBL30456911 0.85 APLNR (0.52) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL31505801 0.84 CTSL (0.56) CTSLCTSSCTSKCTSHMC4R
SCHEMBL30969039 0.84 APLNR (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027760-A1 Composition and methods to improve neural outcome ENDOCRINZ LIMITED (NZ) 2003-02-06 — — US claimed
US-20030027760-A1 Composition and methods to improve neural outcome ENDOCRINZ LIMITED (NZ) 2003-02-06 — — US disclosed
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