SCHEMBL11600017

SCHEMBL11600017

CN1CCC(=C2c3ccccc3COc3ccccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.71
KCNH2 Q12809 6/20 0.55
CHRM2 P08172 5/20 0.55
CHRM1 P11229 5/20 0.55
ADRA1A P35348 5/20 0.55
DRD1 P21728 5/20 0.55
HTR1A P08908 4/20 0.55
ADRA2A P08913 4/20 0.55
DRD3 P35462 4/20 0.55
HTR2A P28223 4/20 0.55
HTR2C P28335 4/20 0.55
HRH1 P35367 4/20 0.55
HTR2B P41595 4/20 0.55
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A3 Q01959 3/20 0.55
DRD2 P14416 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 3/20 0.55
ADRA2B P18089 3/20 0.55

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
SCHEMBL11575464 0.87 SETD7 (0.58) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL13870476 0.87 SETD7 (0.58) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL13712944 0.86 SETD7 (0.57) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL14559374 0.86 SETD7 (0.54) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL3131282 0.86 SETD7 (0.57) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL14282944 0.85 SETD7 (0.57) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL11572834 0.85 SETD7 (0.56) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL3134916 0.85 SETD7 (0.56) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL490214 0.85 SETD7 (0.56) SETD7KCNH2CHRM2CHRM1ADRA1A
SCHEMBL11576524 0.85 SETD7 (0.56) SETD7KCNH2CHRM2CHRM1ADRA1A

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-4072756-A Tricyclo piperidino ketones and soporific compositions thereof SANDOZ LTD. (CH) 1978-02-07 US disclosed