SCHEMBL3267628

SCHEMBL3267628

c1ccc2c(c1)SCN2C1CNCCN1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.38
HTR2B P41595 7/20 0.38
HTR2A P28223 6/20 0.38
KDM1A O60341 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Hydrochloric Acid SCHEMBL6422741 0.70 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL29221626 0.70 GRIA2 (0.38) HTR2CHTR2BHTR2AKDM1AKMT2A
SCHEMBL6422828 0.68 HTR2C (0.54) HTR2CHTR2BHTR2A
SCHEMBL3087214 0.67 MEN1 (0.37) HTR2CHTR2BHTR2AKDM1AMEN1
SCHEMBL27473137 0.66 HTR2A (0.30) HTR2CHTR2BHTR2A
SCHEMBL30600476 0.66 BCHE (0.41) HTR2AKDM1AMEN1ALDH1A1GAA
SCHEMBL180964 0.66 BCHE (0.41) HTR2AKDM1AMEN1ALDH1A1GAA
SCHEMBL8029479 0.62 HTR2C (0.48) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL11721720 0.62 SLC6A2 (0.33) HTR2BHTR2AKDM1A
SCHEMBL17006474 0.62 HTR2C (0.39) HTR2CHTR2BHTR2A

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
WO-2010010566-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF ZIPRASIDONE LUPIN LIMITED (IN) 2010-01-28 WO disclosed