SCHEMBL13870565

SCHEMBL13870565

O=C(O)c1ccc(Cl)cc1COc1ccc(CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.57
FFAR4 Q5NUL3 4/20 0.57
NR4A2 P43354 4/20 0.51
MRGPRX4 Q96LA9 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGER4 P35408 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MAOB P27338 2/20 0.45
S1PR1 P21453 1/20 0.45
LTK P29376 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL13870564 0.86 FFAR1 (0.51) FFAR1FFAR4NR4A2MEN1KMT2A
SCHEMBL10562150 0.85 NR4A2 (0.52) FFAR1FFAR4NR4A2MRGPRX4SMN1; SMN2
SCHEMBL13870563 0.84 FFAR1 (0.49) FFAR1FFAR4NR4A2MRGPRX4SMN1; SMN2
SCHEMBL13870464 0.83 MRGPRX4 (0.59) FFAR1FFAR4NR4A2MRGPRX4SMN1; SMN2
SCHEMBL13870541 0.81 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL966182 0.79 KMT2A (0.67) FFAR1FFAR4NR4A2SMN1; SMN2MEN1
SCHEMBL28426592 0.78 SMN1; SMN2 (0.55) MRGPRX4SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL3980330 0.76 NR4A2 (0.64) FFAR1FFAR4NR4A2MRGPRX4SMN1; SMN2
SCHEMBL966309 0.75 MAOB (0.69) NR4A2KMT2AMAOBMAOA
SCHEMBL10566519 0.75 NR4A2 (0.56) FFAR1FFAR4NR4A2MRGPRX4SMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
US-7326721-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-02-05 US disclosed
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