SCHEMBL11798652

SCHEMBL11798652

CN1CCP(=O)(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
DRD1 P21728 2/20 0.42
DRD3 P35462 2/20 0.42
OPRM1 P35372 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
MC4R P32245 2/20 0.41

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
SCHEMBL29221145 0.88 HPGD (0.42) HPGDDRD1DRD3OPRM1CHRM2
SCHEMBL2611681 0.82 CYP2D6 (0.49) HPGDCYP2D6CHRM1KCNH2SMN1; SMN2
SCHEMBL16908176 0.80 MAPT (0.46) L3MBTL1TDP1SMN1; SMN2
SCHEMBL2207076 0.80 DRD1 (0.38) DRD1DRD3HTR2ASLC6A3DRD4
SCHEMBL10272984 0.80 SMN1; SMN2 (0.40) HPGDCYP2D6HTR2AHTR2CDRD2
SCHEMBL23749704 0.80 ALDH1A1 (0.42) POLB
SCHEMBL2209593 0.80 TSHR (0.41) HPGDDRD1POLBTDP1TSHR
SCHEMBL17447179 0.79 HPGD (0.50) HPGDTSHRSMN1; SMN2
SCHEMBL13205026 0.79 HPGD (0.50) HPGDTSHRSMN1; SMN2
SCHEMBL14433347 0.79 HPGD (0.40) HPGD

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-3931196-A Phosphinolines and phosphindolines MONASH UNIVERSITY (AU) 1976-01-06 US disclosed