SCHEMBL14282957

SCHEMBL14282957

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.67
CHRM2 P08172 2/20 0.67
HTR1A P08908 2/20 0.67
ADRA2A P08913 2/20 0.67
CHRM1 P11229 2/20 0.67
DRD1 P21728 2/20 0.67
SLC6A2 P23975 2/20 0.67
ADRA1A P35348 2/20 0.67
DRD3 P35462 2/20 0.67
SLC6A3 Q01959 2/20 0.67
KCNH2 Q12809 2/20 0.67
NPC1 O15118 1/20 0.67
MLNR O43193 1/20 0.67
NR1I2 O75469 1/20 0.67
EGFR P00533 1/20 0.67
LMNA P02545 1/20 0.67
ERBB2 P04626 1/20 0.67
FYN P06241 1/20 0.67
CHRM4 P08173 1/20 0.67
ABCB1 P08183 1/20 0.67

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
Hydrochloric Acid SCHEMBL9353305 0.95 BCHE (0.68) BCHECHRM2HTR1AADRA2ACHRM1
Fumaric Acid SCHEMBL9531472 0.94 CHRM2 (0.61) BCHECHRM2HTR1AADRA2ACHRM1
Fumaric Acid SCHEMBL9531465 0.94 CHRM2 (0.61) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9673332 0.94 BCHE (0.67) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9674407 0.94 BCHE (0.67) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9671913 0.94 BCHE (0.67) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL9353416 0.93 CHRM2 (0.63) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL9356737 0.93 BCHE (0.69) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL6250832 0.92 BCHE (0.63) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9356744 0.92 CHRM2 (0.62) BCHECHRM2HTR1AADRA2ACHRM1

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