SCHEMBL14282966

SCHEMBL14282966

O=C(O)CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.60
OPRM1 P35372 3/20 0.60
OPRK1 P41145 3/20 0.60
P2RX7 Q99572 1/20 0.55
SETD7 Q8WTS6 1/20 0.54
HTR7 P34969 3/20 0.51
DRD2 P14416 3/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HRH1 P35367 2/20 0.51
DRD3 P35462 2/20 0.51
HTR2B P41595 2/20 0.51
SLC6A4 P31645 1/20 0.51
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR5 Q9H228 3/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL14198340 0.91 SETD7 (0.57) OPRD1OPRM1OPRK1P2RX7SETD7
SCHEMBL11545924 0.90 DRD2 (0.64) OPRD1OPRM1OPRK1P2RX7HTR7
Hydrochloric Acid SCHEMBL11543149 0.88 DRD2 (0.63) OPRD1OPRM1OPRK1P2RX7HTR7
SCHEMBL13904313 0.83 DRD2 (0.65) OPRM1HTR7DRD2HTR1AHTR2A
SCHEMBL11541244 0.83 DRD2 (0.65) OPRM1HTR7DRD2HTR1AHTR2A
SCHEMBL14198374 0.82 SETD7 (0.58) OPRD1OPRM1OPRK1P2RX7SETD7
Hydrochloric Acid SCHEMBL11545929 0.82 DRD2 (0.63) OPRM1HTR7DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL11547031 0.82 CYP2J2 (0.57) OPRD1OPRM1OPRK1HTR7DRD2
SCHEMBL9249824 0.81 SETD7 (0.57) OPRD1OPRM1OPRK1P2RX7SETD7
SCHEMBL9253379 0.81 SETD7 (0.57) OPRD1OPRM1OPRK1P2RX7SETD7

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