SCHEMBL14282961

SCHEMBL14282961

O=C(CN1CCC(=C(c2ccccc2)c2ccccc2)CC1)NC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 3/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
SIGMAR1 Q99720 3/20 0.50
MEN1 O00255 2/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
EPHX2 P34913 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL14282965 0.79 NPC1 (0.56) ALDH1A1KMT2AMEN1CHRM5CHRM3
SCHEMBL4257154 0.77 SETD7 (0.56) ALDH1A1DRD4LMNACHRM3
SCHEMBL6865166 0.76 SIGMAR1 (0.67) ALDH1A1KMT2ASIGMAR1MEN1GAA
SCHEMBL18838272 0.76 KMT2A (0.56) ALDH1A1KMT2ADRD4DRD3LMNA
SCHEMBL11036336 0.75 SETD7 (0.53) ALDH1A1DRD4
SCHEMBL7438034 0.75 SIGMAR1 (0.65) ALDH1A1KMT2ADRD4DRD3LMNA
SCHEMBL7436834 0.75 SIGMAR1 (0.65) ALDH1A1KMT2ADRD4DRD3LMNA
SCHEMBL4501570 0.73 ALDH1A1 (0.56) ALDH1A1KMT2ADRD4DRD3SIGMAR1
SCHEMBL4494539 0.72 ALDH1A1 (0.57) ALDH1A1DRD4LMNATSHRSIGMAR1
SCHEMBL6479844 0.72 SIGMAR1 (0.75) ALDH1A1KMT2ADRD4DRD3LMNA

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