SCHEMBL8932247

SCHEMBL8932247

CCC1(C)CCC(c2ccccc2N)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
KDM1A O60341 5/20 0.33
RCOR1 Q9UKL0 3/20 0.33
HTR2C P28335 3/20 0.33
OPRL1 P41146 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD4 P21917 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 2/20 0.31
SLC6A4 P31645 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
SCHEMBL4253246 0.82 HTR2A (0.36) HTR2AHTR2COPRL1
SCHEMBL8932317 0.80 ALDH1A1 (0.35) HTR2AHTR2COPRL1HTR1AADRA2A
SCHEMBL744815 0.75 ALOX15 (0.45) HTR2AHTR2C
SCHEMBL8932260 0.74 OPRL1 (0.35) HTR2COPRL1HTR1AADRA2AADRB3
SCHEMBL8932242 0.74 OPRL1 (0.35) HTR2COPRL1HTR1AADRA2AADRB3
SCHEMBL8932243 0.74 OPRL1 (0.35) HTR2COPRL1HTR1AADRA2AADRB3
SCHEMBL1068978 0.72 NOS1 (0.41) HTR2C
SCHEMBL1067058 0.72 KDM4E (0.44) HTR2C
SCHEMBL8932258 0.71 ALDH1A1 (0.39) HTR2CDRD2
SCHEMBL4860219 0.71 KDM1A (0.36) HTR2AKDM1ASLC6A2ADRA1ASLC6A3

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
US-5498624-A PLANT FUNGICIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed