SCHEMBL14282944

SCHEMBL14282944

CCN1CCC(=C2c3ccccc3COc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 6/20 0.57
KCNH2 Q12809 5/20 0.53
TSHR P16473 3/20 0.45
HRH1 P35367 6/20 0.43
PTAFR P25105 1/20 0.43
TP53 P04637 2/20 0.41
GLA P06280 1/20 0.41
THRB P10828 1/20 0.41
HTR2B P41595 4/20 0.40
CHRM2 P08172 3/20 0.40
HTR1A P08908 3/20 0.40
ADRA2A P08913 3/20 0.40
CHRM1 P11229 3/20 0.40
DRD2 P14416 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
DRD1 P21728 3/20 0.40
SLC6A2 P23975 3/20 0.40
ADRA1D P25100 3/20 0.40
HTR2A P28223 3/20 0.40

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
SCHEMBL14559374 0.89 SETD7 (0.54) SETD7KCNH2TSHRHRH1PTAFR
SCHEMBL11600017 0.85 SETD7 (0.71) SETD7KCNH2TSHRHRH1PTAFR
SCHEMBL13888662 0.85 KCNH2 (0.48) SETD7KCNH2TSHRHRH1PTAFR
SCHEMBL9718742 0.82 KCNH2 (0.58) SETD7KCNH2TSHRPTAFRTP53
SCHEMBL14307954 0.82 SETD7 (0.48) SETD7KCNH2TSHRHRH1PTAFR
SCHEMBL11600344 0.81 KCNH2 (0.55) SETD7KCNH2TSHRHRH1PTAFR
SCHEMBL9718775 0.81 KCNH2 (0.52) SETD7KCNH2TSHRHRH1PTAFR
Hydrochloric Acid SCHEMBL9718801 0.80 KCNH2 (0.52) SETD7KCNH2TSHRHRH1PTAFR
SCHEMBL9718791 0.80 KCNH2 (0.56) SETD7KCNH2TSHRHRH1PTAFR
SCHEMBL9718766 0.80 HRH1 (0.61) SETD7KCNH2TSHRHRH1PTAFR

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
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed