SCHEMBL9464813

SCHEMBL9464813

COc1ccc(Cc2nc(-c3ccccc3)nn(CCN3CCOCC3)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ CETP P11597 1/20 0.43
▸ POLB P06746 1/20 0.41

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
SCHEMBL9464732 0.96 CETP (0.47) AVPR1BADRA1AHRH1ADRA1BHRH3
SCHEMBL9465027 0.90 MAPT (0.54) MAPTLTA4HSMN1; SMN2POLB
SCHEMBL9465695 0.89 MEN1 (0.49) AVPR1BADRA1AHRH1ADRA1BMAPT
SCHEMBL9465008 0.87 MAPT (0.47) AVPR1BADRA1AHRH1ADRA1BHRH3
SCHEMBL9465413 0.85 MEN1 (0.52) ADRA1AHRH1ADRA1BMAPTLMNA
SCHEMBL9465745 0.83 SLC2A1 (0.47) AVPR1BMAPTSLC2A1NPC1RAB9A
SCHEMBL9464761 0.81 TSHR (0.45) MAPTSMN1; SMN2TDP1POLB
SCHEMBL9464809 0.81 MEN1 (0.43) AVPR1BADRA1AHRH1ADRA1BHRH3
SCHEMBL9464546 0.80 MAPT (0.47) AVPR1BMAPTSMN1; SMN2
SCHEMBL9465249 0.80 MAPT (0.49) AVPR1BADRA1AHRH1ADRA1BMAPT

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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