SCHEMBL14282953

SCHEMBL14282953

O=C(O)CN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.59
CHRM2 P08172 2/20 0.59
HTR1A P08908 2/20 0.59
ADRA2A P08913 2/20 0.59
CHRM1 P11229 2/20 0.59
DRD1 P21728 2/20 0.59
SLC6A2 P23975 2/20 0.59
ADRA1A P35348 2/20 0.59
DRD3 P35462 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KCNH2 Q12809 2/20 0.59
CYP2D6 P10635 1/20 0.59
OPRM1 P35372 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
MAPK1 P28482 1/20 0.57
GRM5 P41594 1/20 0.55
GRM7 Q14831 1/20 0.55
GRM3 Q14832 1/20 0.55
NPC1 O15118 1/20 0.54
MLNR O43193 1/20 0.54

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
Methane SCHEMBL9353342 0.99 BCHE (0.58) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9356762 0.99 MAPK1 (0.60) BCHECHRM2HTR1AADRA2ACHRM1
Methane SCHEMBL9352878 0.97 MAPK1 (0.58) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL9353058 0.92 CHRM2 (0.55) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL9353208 0.92 BCHE (0.62) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9353133 0.91 BCHE (0.61) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9353408 0.91 BCHE (0.61) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL9352819 0.90 CHRM2 (0.52) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL9515760 0.90 BCHE (0.54) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL9404594 0.89 BCHE (0.57) BCHECHRM2HTR1AADRA2ACHRM1

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 4 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-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
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed