SCHEMBL9465745

SCHEMBL9465745

O=c1c(Cc2ccccc2)nc(-c2ccc(Cl)cc2)nn1CCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.47
▸ MAPT P10636 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ USP2 O75604 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SLC2A2 P11168 1/20 0.42
▸ AVPR1B P47901 1/20 0.42

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
SCHEMBL9465008 0.96 MAPT (0.47) SLC2A1MAPTTSHRMAPK1MEN1
SCHEMBL9465027 0.92 MAPT (0.54) MAPTTSHRALDH1A1
SCHEMBL9465413 0.90 MEN1 (0.52) SLC2A1MAPTTSHRMEN1KMT2A
SCHEMBL9465249 0.89 MAPT (0.49) SLC2A1MAPTMEN1KMT2AAVPR1B
SCHEMBL9464655 0.89 AVPR1B (0.47) SLC2A1MAPTTSHRMAPK1MEN1
SCHEMBL9464732 0.87 CETP (0.47) SLC2A1MAPTMEN1KMT2AUSP2
SCHEMBL9465695 0.85 MEN1 (0.49) SLC2A1MAPTTSHRMAPK1MEN1
SCHEMBL9464598 0.84 SMN1; SMN2 (0.46) MAPTTSHRMAPK1MEN1KMT2A
SCHEMBL9465687 0.84 SMN1; SMN2 (0.50) SLC2A1MAPTMAPK1MEN1KMT2A
SCHEMBL9472384 0.84 LTA4H (0.44) MAPTTSHRMEN1KMT2ACYP2C19

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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