SCHEMBL14282935

SCHEMBL14282935

O=C(CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)OC1CCOC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
HTR7 P34969 1/20 0.42
OPRD1 P41143 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
P2RX7 Q99572 1/20 0.41
SETD7 Q8WTS6 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL14282936 0.93 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTHTR7OPRD1
SCHEMBL14282933 0.89 DRD2 (0.43) KMT2AHTR7OPRD1OPRM1OPRK1
SCHEMBL4697602 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AHTR7OPRD1OPRM1
SCHEMBL14282934 0.82 DRD2 (0.47) ALDH1A1KMT2AMAPTHTR7OPRD1
SCHEMBL14282937 0.77 BCHE (0.52) ALDH1A1KMT2AMAPTOPRM1OPRK1
SCHEMBL14198340 0.74 SETD7 (0.57) ALDH1A1KMT2AMAPTHTR7OPRD1
SCHEMBL4563119 0.74 OPRD1 (0.54) ALDH1A1KMT2AHTR7OPRD1OPRM1
SCHEMBL4081229 0.73 OPRD1 (0.50) ALDH1A1KMT2AMAPTHTR7OPRD1
SCHEMBL14198374 0.72 SETD7 (0.58) ALDH1A1KMT2AMAPTHTR7OPRD1
SCHEMBL4693876 0.71 OPRD1 (0.48) ALDH1A1KMT2AMAPTHTR7OPRD1

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