SCHEMBL9464732

SCHEMBL9464732

COc1ccc(-c2nc(Cc3ccccc3)c(=O)n(CCN3CCOCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ AVPR1B P47901 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL9464813 0.96 AVPR1B (0.46) CETPMAPTAVPR1BLTA4HSLC2A1
SCHEMBL9465027 0.90 MAPT (0.54) MAPTLTA4HALDH1A1POLB
SCHEMBL9465413 0.89 MEN1 (0.52) MAPTSLC2A1ADRA1AHRH1ADRA1B
SCHEMBL9465745 0.87 SLC2A1 (0.47) MAPTAVPR1BSLC2A1ALDH1A1HSD17B10
SCHEMBL9465695 0.85 MEN1 (0.49) MAPTAVPR1BSLC2A1ADRA1AHRH1
SCHEMBL9465008 0.83 MAPT (0.47) MAPTAVPR1BSLC2A1ADRA1AHRH1
SCHEMBL9472384 0.81 LTA4H (0.44) MAPTLTA4HALDH1A1HSD17B10MEN1
SCHEMBL9465061 0.81 CYP1A2 (0.51) MAPTALDH1A1HSD17B10LMNAMEN1
SCHEMBL9464725 0.81 CETP (0.46) CETPMAPTSLC2A1ADRA1AHRH1
SCHEMBL9465249 0.80 MAPT (0.49) MAPTAVPR1BSLC2A1ADRA1AHRH1

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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