SCHEMBL2175451

SCHEMBL2175451

O=C(O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
DPP4 P27487 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 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
SCHEMBL3183657 0.94 ACE (0.55) ACESMN1; SMN2HPGDALDH1A1CHRM2
SCHEMBL6039762 0.94 ACE (0.55) ACESMN1; SMN2HPGDALDH1A1CHRM2
SCHEMBL6786426 0.94 ACE (0.55) ACESMN1; SMN2HPGDALDH1A1CHRM2
SCHEMBL3183667 0.94 ACE (0.55) ACESMN1; SMN2HPGDALDH1A1CHRM2
SCHEMBL474742 0.88 ACE (0.60) ACESMN1; SMN2ALDH1A1CHRM2CHRM4
SCHEMBL474618 0.88 ACE (0.60) ACESMN1; SMN2ALDH1A1CHRM2CHRM4
SCHEMBL5741058 0.87 HPGD (0.63) ACESMN1; SMN2HPGDALDH1A1
SCHEMBL5740226 0.87 SMN1; SMN2 (0.54) ACESMN1; SMN2HPGDALDH1A1
SCHEMBL5740374 0.87 SMN1; SMN2 (0.63) ACESMN1; SMN2HPGDALDH1A1
SCHEMBL5741063 0.87 HPGD (0.63) ACESMN1; SMN2HPGDALDH1A1

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
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed