SCHEMBL11037671

SCHEMBL11037671

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCOCCOC)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 7/20 0.48
▸ REN P00797 8/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ CAPN1 P07384 1/20 0.44

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
SCHEMBL11014003 0.80 REN (0.47) CTSDRENCDK4CCNA2CCND1
SCHEMBL9417355 0.78 REN (0.47) REN
SCHEMBL30599003 0.78 CCNA2 (0.51) CDK4CCNA2CCND1CDK2CCNA1
SCHEMBL15272522 0.77 OPRM1 (0.50) CTSDRENCTSBCTSK
SCHEMBL15272531 0.77 OPRM1 (0.50) CTSDRENCTSBCTSK
SCHEMBL11011996 0.77 REN (0.57) RENCTSBCTSK
SCHEMBL9716847 0.77 REN (0.66) CTSDRENCTSBCTSK
SCHEMBL11012331 0.76 REN (0.51) RENCTSBCTSK
SCHEMBL9716892 0.76 REN (0.65) REN
SCHEMBL9417466 0.76 REN (0.56) RENCTSB

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
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 — — EP disclosed
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