SCHEMBL11034547

SCHEMBL11034547

CCC1(C2C=Cc3ccccc32)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.33
SIGMAR1 Q99720 4/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
CHRNA7 P36544 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 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
SCHEMBL28189268 0.83 HTR6 (0.33) HTR6HTR2A
SCHEMBL27874174 0.83 HTR2A (0.33) HTR6HTR2ASIGMAR1KDM1AKDM4E
SCHEMBL7164209 0.79 GAA (0.34) HTR6HTR2ACHRNA7TP53CYP3A4
SCHEMBL8149561 0.78 HTR6 (0.33) HTR6HTR2ACHRNA7
SCHEMBL8157271 0.76 HTR2A (0.34) HTR6HTR2A
SCHEMBL2806909 0.76 BRD4 (0.31) HTR6HTR2A
SCHEMBL6427869 0.75 CHRNA7 (0.31) CHRNA7
Hydrochloric Acid SCHEMBL4467823 0.74 HTR6 (0.32) HTR6HTR2ASIGMAR1KDM1ARCOR1
SCHEMBL17386884 0.73 HTR2A (0.34) HTR6HTR2A
SCHEMBL6294599 0.70 CHRM3 (0.32) CHRM3

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-0133658-A2 Flame retardant non-dripping polycarbonate compositions GENERAL ELECTRIC COMPANY (US) 1985-03-06 EP disclosed