SCHEMBL2597950

SCHEMBL2597950

CN1CC2CCN(C)c3ccc(Cl)cc3[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
GABRA1 P14867 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44

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
SCHEMBL1804195 1.00 CHRM2 (0.44) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL1804194 1.00 CHRM2 (0.44) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL1804196 1.00 CHRM2 (0.44) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL1804594 0.79 SIGMAR1 (0.48) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL1804593 0.79 SIGMAR1 (0.48) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL1804592 0.79 SIGMAR1 (0.48) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL1807582 0.73 DRD2 (0.56) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL14303789 0.70 SRD5A1 (0.38) HTR2CADRA1ASLC6A3LMNAPOLB
SCHEMBL6558486 0.69 CHRM2 (0.44) CHRM2HTR1AADRA2ADRD2GABRA1
SCHEMBL6558482 0.69 CHRM2 (0.44) CHRM2HTR1AADRA2ADRD2GABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed