SCHEMBL1729130

SCHEMBL1729130

COc1ccc2ccnc(N3CCC(CCNC(=O)O)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50
▸ ACHE P22303 5/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ CHRM4 P08173 3/20 0.47
▸ DRD4 P21917 1/20 0.46
▸ BCHE P06276 1/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 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
SCHEMBL1728435 0.92 SIRT2 (0.50) ENPP1SIRT2SIRT1SIRT3ACHE
SCHEMBL3266987 0.85 ENPP1 (0.45) ENPP1SIRT2SIRT1SIRT3ACHE
SCHEMBL1730265 0.85 SIRT2 (0.50) SIRT2SIRT1SIRT3CHRM4MAOB
SCHEMBL1728813 0.82 SIRT2 (0.51) SIRT2SIRT1SIRT3ACHEDRD2
SCHEMBL1728789 0.82 ENPP1 (0.46) ENPP1ACHEDRD2DRD4
SCHEMBL1728885 0.80 CHRM4 (0.53) ENPP1ACHECHRM4BCHE
SCHEMBL1729234 0.80 ENPP1 (0.42) ENPP1SIRT2SIRT1SIRT3ACHE
SCHEMBL1729968 0.79 HRH3 (0.58) ENPP1ACHECHRM4BCHE
SCHEMBL3265661 0.79 SIRT2 (0.49) ENPP1SIRT2SIRT1SIRT3ACHE
SCHEMBL5752154 0.78 CHRM4 (0.45) ENPP1SIRT2SIRT1SIRT3ACHE

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 — — EP claimed
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