SCHEMBL7094943

SCHEMBL7094943

Cc1ccc([S+]([O-])n2nc(N3CCN(Cc4ccccc4)CC3)c3sccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
HTR1A P08908 2/20 0.45
HTR2C P28335 2/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.40
SMO Q99835 1/20 0.40
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL2965702 0.78 MAPT (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2961731 0.78 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2953020 0.66 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13381620 0.66 LMNA (1.00) LMNAPOLBKMT2AMEN1ALDH1A1
SCHEMBL12385909 0.65 DRD4 (0.77) HTR2CLMNAPOLBMAPTALDH1A1
SCHEMBL29190319 0.63 LMNA (0.58) LMNAPOLBKMT2AMEN1ALDH1A1
SCHEMBL7604485 0.62 DRD4 (0.77) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL7294783 0.62 HTR1A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20445526 0.61 SMO (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7827209 0.61 SIGMAR1 (0.60) LMNAPOLBKMT2AMEN1MAPT

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-1361875-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2003-11-19 EP disclosed
WO-2002066469-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed