SCHEMBL8102094

SCHEMBL8102094

CC1CC(O)c2cc(Br)ccc2S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRD1 P41143 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL631582 0.73 RAB9A (0.33) HTR2AHTR2CHTR2BRAB9AOPRM1
SCHEMBL3747979 0.70 BACE1 (0.39) HTR2AHTR2CHTR2BRAB9ACA2
SCHEMBL30714239 0.70 BACE1 (0.39) HTR2AHTR2CHTR2BRAB9ACA2
SCHEMBL27416207 0.68 HTR2A (0.33) HTR2AHTR2CHTR2BRAB9ACA1
SCHEMBL9187689 0.68 KDM1A (0.38) HTR2AHTR2CHTR2BKDM1AADRA2A
SCHEMBL7418018 0.67 PNMT (0.38) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL30016697 0.66 KDM1A (0.44) HTR2AHTR2CKDM1AKDM1BSLC6A2
SCHEMBL13799423 0.66 PNMT (0.43) HTR2AHTR2CHTR2BOPRM1OPRK1
SCHEMBL10196253 0.66 HTR2A (0.41) HTR2AHTR2CHTR2BRAB9ACA1
SCHEMBL31064331 0.66 HTR2A (0.35) HTR2AHTR2CHTR2BCA1CA2

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-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed