SCHEMBL9237172

SCHEMBL9237172

CS(=O)(=O)OC1CCC(N)C(c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.45
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9237738 0.82 KDM1A (0.42) HTR2AHTR2CHTR2BKDM1AKDM4E
SCHEMBL9237183 0.81 DPP4 (0.36) DPP4HTR2AHTR2CHTR2BMEN1
SCHEMBL9238233 0.76 HTR2A (0.41) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL16372470 0.74 HTR2A (0.53) DPP4HTR2AHTR2CHTR2BMEN1
SCHEMBL22437509 0.74 HTR2A (0.53) DPP4HTR2AHTR2CHTR2BMEN1
SCHEMBL29457652 0.74 HTR2A (0.53) DPP4HTR2AHTR2CHTR2BMEN1
SCHEMBL29023696 0.74 HTR2A (0.53) DPP4HTR2AHTR2CHTR2BMEN1
SCHEMBL16211980 0.74 HTR2A (0.53) DPP4HTR2AHTR2CHTR2BMEN1
SCHEMBL29023699 0.74 HTR2A (0.53) DPP4HTR2AHTR2CHTR2BMEN1
SCHEMBL22855046 0.74 HTR2A (0.61) DPP4HTR2AHTR2CHTR2BKDM1A

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-0657455-A1 Epi-epibatidine derivatives, a process and intermediates for preparing them and epi-epibatidine and medicaments containing the epi-epibatidine derivatives and/or epi-epibatidine and the use of them EGIS GYOGYSZERGYAR (HU) 1995-06-14 EP disclosed