SCHEMBL8932243

SCHEMBL8932243

CCC1CCC(c2ccccc2N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.35
HTR2C P28335 4/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.34
DRD2 P14416 2/20 0.33
HTR5A P47898 1/20 0.33
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL8932260 1.00 OPRL1 (0.35) OPRL1HTR2CALDH1A1OPRM1DRD2
SCHEMBL8932242 1.00 OPRL1 (0.35) OPRL1HTR2CALDH1A1OPRM1DRD2
SCHEMBL744815 0.84 ALOX15 (0.45) HTR2CALDH1A1MEN1USP2GAA
SCHEMBL16191229 0.79 HTR2C (0.56) OPRL1HTR2CTSHRDRD4HTR2B
SCHEMBL8932258 0.79 ALDH1A1 (0.39) HTR2CALDH1A1DRD2
SCHEMBL8932238 0.79 MEN1 (0.47) HTR2CALDH1A1OPRM1SLC6A4MEN1
SCHEMBL28423408 0.78 MEN1 (0.40) OPRL1HTR2CALDH1A1OPRM1MEN1
SCHEMBL28423405 0.78 MEN1 (0.40) OPRL1HTR2CALDH1A1OPRM1MEN1
SCHEMBL8743923 0.78 OPRL1 (0.35) OPRL1HTR2CALDH1A1OPRM1DRD2
SCHEMBL27867482 0.78 KDM1A (0.42) OPRL1HTR2CALDH1A1OPRM1DRD2

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