SCHEMBL11009837

SCHEMBL11009837

CCCCCCCCN[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](C)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ CNR1 P21554 4/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ ENPEP Q07075 2/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ REN P00797 4/20 0.32
▸ HSPA5 P11021 1/20 0.32
▸ HSPA2 P54652 1/20 0.32
▸ GRB2 P62993 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ GLP1R P43220 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31

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
SCHEMBL16359592 0.80 ACE (0.39) ACEMMP1GRB2
SCHEMBL28830127 0.79 CPB2 (0.41) ACECPB2MMP2MMP8MMP1
SCHEMBL28830126 0.79 CPB2 (0.41) ACECPB2MMP2MMP8MMP1
SCHEMBL11012174 0.79 ACE (0.43) ACEMMP1RENCDK4CCNA2
SCHEMBL30496934 0.78 SLC6A5 (0.44) ACE
SCHEMBL29640354 0.78 SLC6A5 (0.44) ACE
SCHEMBL29640332 0.78 SLC6A5 (0.44) ACE
SCHEMBL30496953 0.78 SLC6A5 (0.44) ACE
SCHEMBL31020879 0.78 ACE (0.38) ACEMMP1REN
SCHEMBL10431448 0.78 ACE (0.33) ACE

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-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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