SCHEMBL9464652

SCHEMBL9464652

CC(N1CCOCC1)n1nc(-c2ccccc2)nc(Cc2cccc(Cl)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ AVPR1B P47901 7/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CCR2 P41597 2/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL9465242 0.94 AVPR1B (0.40) ADRA1AHRH1ADRA1BAVPR1BPIK3CB
SCHEMBL9465729 0.92 ADRA1A (0.45) ADRA1AHRH1ADRA1BAVPR1BALDH1A1
SCHEMBL9465019 0.90 MAPT (0.43) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9465742 0.90 SLC2A1 (0.41) ADRA1AHRH1ADRA1BNPC1RAB9A
SCHEMBL9465004 0.90 MAPT (0.41) ADRA1AHRH1ADRA1BAVPR1BALDH1A1
SCHEMBL9465076 0.89 MAPT (0.37) ALDH1A1MAPTCCR2
SCHEMBL9464543 0.89 PIK3CA (0.39) PIK3CAMAPTPIK3CD
SCHEMBL9465088 0.86 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL9464951 0.86 ADRA1A (0.41) ADRA1AHRH1ADRA1BAVPR1BALDH1A1
SCHEMBL9465782 0.85 ADRA1A (0.40) ADRA1AHRH1ADRA1BAVPR1BALDH1A1

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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