SCHEMBL8569901

SCHEMBL8569901

COc1cc(OC)c(C(=O)CCCCCl)cc1NS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.62
HTR2B P41595 13/20 0.62
HTR2A P28223 9/20 0.62
ACLY P53396 1/20 0.49
BRD1 O95696 3/20 0.48
BRPF1 P55201 3/20 0.48
BRPF3 Q9ULD4 3/20 0.48
BRD9 Q9H8M2 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
BRD4 O60885 1/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL8567723 0.89 HTR2C (0.62) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8573905 0.89 HTR2C (0.62) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8570870 0.89 HTR2C (0.61) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8572332 0.88 HTR2C (0.53) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8574314 0.88 HTR2C (0.60) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8574255 0.86 HTR2C (0.62) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8571173 0.85 POLB (0.51) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8811616 0.85 HTR2C (0.63) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8570844 0.85 HTR2C (0.63) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8576060 0.85 ALDH1A1 (0.60) HTR2CHTR2BHTR2AMEN1KMT2A

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
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed