SCHEMBL5504235

SCHEMBL5504235

COc1ccc(N2CCNCC2S(C)(=O)=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.41
HTR2B P41595 9/20 0.41
HTR2A P28223 8/20 0.41
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PKM P14618 1/20 0.37
GUSB P08236 1/20 0.37

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
SCHEMBL5506120 0.83 ADRB1 (0.49) HTR2CHTR2BHTR2AKMT2ALMNA
SCHEMBL5509224 0.77 ADRB1 (0.39) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL5506261 0.77 ADRB1 (0.44) HTR2CHTR2BHTR2AKMT2ASLC6A2
SCHEMBL5511689 0.76 CMA1 (0.41) HTR2CHTR2BHTR2AKMT2APKM
SCHEMBL5509277 0.75 ADRB1 (0.46) HTR2CHTR2BHTR2AKMT2ASLC6A2
SCHEMBL5505025 0.74 MAOA (0.41) HTR2CHTR2BHTR2AKMT2ALMNA
SCHEMBL4981272 0.70 PDE4B (0.57) KMT2ALMNA
SCHEMBL361649 0.70 ADRB1 (0.61) LMNA
SCHEMBL21098717 0.68 KDR (0.46) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL21098716 0.68 KDR (0.46) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO disclosed