SCHEMBL6073337

SCHEMBL6073337

c1ccc(CCc2c(CCN3CCOCC3)sc3ccccc23)nc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
KCNH2 Q12809 2/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
NPY1R P25929 11/20 0.43
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL6072732 0.90 HRH1 (0.58) HRH1KCNH2CYP2D6CHRM1NPY1R
SCHEMBL6072759 0.90 HRH1 (0.58) HRH1KCNH2CYP2D6CHRM1NPY1R
SCHEMBL6072979 0.85 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1NPY1R
SCHEMBL6072778 0.82 HRH1 (0.43) HRH1KCNH2CYP2D6CHRM1NPY1R
SCHEMBL6073196 0.81 NPY1R (0.46) HRH1KCNH2CYP2D6CHRM1NPY1R
SCHEMBL6072713 0.80 HRH1 (0.43) HRH1KCNH2CYP2D6CHRM1NPY1R
SCHEMBL6025900 0.79 KDM4E (0.52) CHRM1BRD4CREBBPKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29740742 0.78 KDM4E (0.54) CHRM1BRD4CREBBPKDM4EALDH1A1
SCHEMBL6072800 0.77 TAS1R3 (0.47) HRH1KCNH2CYP2D6CHRM1NPY1R
SCHEMBL4850629 0.75 HRH1 (0.82) HRH1KCNH2CYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO claimed
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO disclosed