SCHEMBL7123729

SCHEMBL7123729

CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(N2CCN(OC(=O)O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.39
HTR2C P28335 2/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
TTR P02766 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PANK3 Q9H999 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
SCHEMBL6644469 0.92 HTR2C (0.38) ENPP2HTR2CALDH1A1LMNATHRB
SCHEMBL6648472 0.91 HTR2C (0.37) ENPP2HTR2CALDH1A1LMNATHRB
SCHEMBL6647263 0.89 HTR2C (0.36) ENPP2HTR2CALDH1A1LMNAPANK3
SCHEMBL5075675 0.88 ENPP2 (0.43) ENPP2HTR2CALDH1A1LMNATSHR
SCHEMBL5077591 0.87 ALDH1A1 (0.41) ENPP2HTR2CALDH1A1LMNA
SCHEMBL5082046 0.86 CYP3A4 (0.45) ENPP2HTR2CALDH1A1LMNATSHR
SCHEMBL6011375 0.86 SMN1; SMN2 (0.43) ENPP2HTR2CALDH1A1PANK3
SCHEMBL5078920 0.85 ENPP2 (0.40) ENPP2HTR2CALDH1A1LMNATSHR
SCHEMBL5078917 0.85 HTR2C (0.40) ENPP2HTR2CALDH1A1LMNATSHR
SCHEMBL5075648 0.85 HTR6 (0.46) HTR2CTHRB

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-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed