SCHEMBL9832615

SCHEMBL9832615

COc1ccc(C[C@H](NC(=O)N(C)CCN(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MMP1 P03956 12/20 0.39
▸ MMP2 P08253 4/20 0.38
▸ MMP3 P08254 3/20 0.38
▸ MMP9 P14780 3/20 0.38
▸ ADAM17 P78536 1/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35

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
SCHEMBL9833056 0.87 REN (0.45) OPRM1OPRD1ATMMMP1MMP2
SCHEMBL10408619 0.85 MMP1 (0.46) OPRM1OPRD1ATMMMP1MMP2
SCHEMBL9417329 0.82 REN (0.46) MMP1ITGA4ITGB7ERAP2ERAP1
SCHEMBL9818534 0.80 REN (0.45) MMP1
SCHEMBL9417215 0.79 ITGB3 (0.49) PTPN1
SCHEMBL9472410 0.75 REN (0.47) MMP1PTPN1ERAP2LNPEP
SCHEMBL7277904 0.75 FCER2 (0.45) MMP1PTPN1ERAP2ERAP1LNPEP
SCHEMBL9833395 0.75 GAA (0.46) ATMITGA4ITGB7
SCHEMBL10534728 0.75 FPR2 (0.53) PTPN1ITGA4ITGB7
SCHEMBL7374762 0.75 MMP3 (0.43) MMP1MMP2MMP3MMP9ADAM17

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS — 1991-01-02 — — EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 — — EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 — — WO disclosed
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