SCHEMBL9464965

SCHEMBL9464965

CC(N1CCOCC1)n1nc(-c2ccccc2Cl)ncc1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.41
▸ PIK3C3 Q8NEB9 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ EPAS1 Q99814 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ HTR2C P28335 1/20 0.35

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
SCHEMBL9464688 0.80 LMNA (0.37) CNR2PIK3C3ALDH1A1CYP1A2CYP3A4
SCHEMBL9465308 0.78 LMNA (0.40) CNR2PIK3C3ALDH1A1CYP1A2CYP3A4
SCHEMBL9464600 0.78 LMNA (0.38) CNR2PIK3C3ALDH1A1CYP1A2CYP3A4
SCHEMBL9465036 0.75 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9464661 0.74 CYP1A2 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL9464972 0.74 CYP1A2 (0.51) CNR2PIK3C3ALDH1A1CYP1A2CYP3A4
SCHEMBL9464824 0.74 LMNA (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9464781 0.69 DPP4 (0.39) ALDH1A1DPP4POLBMAPK14
SCHEMBL9464706 0.68 L3MBTL1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19DPP4
SCHEMBL9464981 0.67 PIK3C3 (0.38) CNR2PIK3C3ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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