SCHEMBL14282965

SCHEMBL14282965

CC(C)NC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
SETD7 Q8WTS6 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.47
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 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
SCHEMBL4257154 0.79 SETD7 (0.56) ALDH1A1CHRM3SETD7OPRM1OPRD1
SCHEMBL14282961 0.79 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL11036336 0.77 SETD7 (0.53) ALDH1A1SETD7OPRM1OPRD1OPRK1
SCHEMBL12890282 0.76 ALDH1A1 (0.70) NPC1KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL7437164 0.75 CHRM5 (0.62) NPC1KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL14282904 0.74 OPRD1 (0.50) KDM4EALDH1A1KMT2AL3MBTL1SETD7
SCHEMBL23464917 0.74 CHRM5 (0.75) NPC1KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL14198385 0.73 SETD7 (0.65) SMN1; SMN2CHRM3SETD7OPRM1OPRD1
SCHEMBL11033270 0.72 SLC6A9 (0.49) KMT2ASETD7MEN1OPRM1OPRD1
SCHEMBL7721235 0.72 CHRM5 (0.72) NPC1KDM4EALDH1A1SMN1; SMN2TDP1

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