SCHEMBL23853077

SCHEMBL23853077

FC(F)(F)c1ccc2c(c1)C(Br)CC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2B P41595 4/20 0.50
HTR2A P28223 3/20 0.50
KDM1A O60341 1/20 0.47
PNMT P11086 3/20 0.45
SLC6A4 P31645 2/20 0.44
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CTSD P07339 1/20 0.40
SRD5A1 P18405 1/20 0.40
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PDE2A O00408 1/20 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
SCHEMBL23850011 0.86 SRD5A1 (0.49) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL30828285 0.86 SRD5A1 (0.49) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL15933206 0.79 HTR2C (0.67) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL3680170 0.79 HTR2C (0.50) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL15335796 0.79 PNMT (0.53) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL3684837 0.79 HTR2C (0.50) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL11522388 0.79 PNMT (0.53) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL9275726 0.79 HTR2C (0.50) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL9280547 0.79 HTR2C (0.50) HTR2CHTR2BHTR2AKDM1APNMT
SCHEMBL30233705 0.79 HTR2C (0.50) HTR2CHTR2BHTR2AKDM1APNMT

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-3883938-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC (US) 2021-09-29 EP disclosed