SCHEMBL2819756

SCHEMBL2819756

Cc1ccc(-c2ccc(C34CCCN(CC3)C4)nn2)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SCD O00767 2/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
Hydrochloric Acid SCHEMBL668161 0.99 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL2822716 0.85
SCHEMBL2819693 0.83 SCD (0.37) SCD
SCHEMBL2820263 0.80 SLC6A2 (0.31)
Bromide SCHEMBL4460367 0.79 PTPN11 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL2823335 0.79 SLC6A2 (0.30)
SCHEMBL2820671 0.78 OTUD7B (0.35)
SCHEMBL668390 0.77 ACHE (0.36) NPC1ALDH1A1MAPTKMT2A
SCHEMBL2819737 0.75 SCD (0.35) SCD
SCHEMBL2818964 0.75 NPC1 (0.41) CHRM1NPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP claimed
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP disclosed
EP-1922320-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-05-21 EP disclosed
WO-2007020343-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-22 WO disclosed