SCHEMBL1729968

SCHEMBL1729968

COc1ccc2nc(N3CCC(CCNC(=O)O)CC3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
ACHE P22303 6/20 0.52
BCHE P06276 5/20 0.50
CHRM4 P08173 3/20 0.49
ACACB O00763 1/20 0.46
ENPP1 P22413 2/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL3265477 0.86 HRH3 (0.49) HRH3ACHEBCHECHRM4ACACB
SCHEMBL3269870 0.85 HRH3 (0.48) HRH3ACHEBCHECHRM4ACACB
SCHEMBL1728885 0.85 CHRM4 (0.53) ACHEBCHECHRM4ENPP1
SCHEMBL3266792 0.84 HRH3 (0.48) HRH3ACHEBCHECHRM4ACACB
SCHEMBL345345 0.84 HRH3 (0.50) HRH3CHRM4TP53
SCHEMBL346050 0.84 HRH3 (0.56) HRH3CHRM4ACACB
SCHEMBL3266113 0.84 HRH3 (0.47) HRH3ACHEBCHECHRM4ACACB
SCHEMBL1727542 0.82 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL14797149 0.81 CHRM4 (0.47) ACHEBCHECHRM4MAPTKMT2A
SCHEMBL1727774 0.81 HRH3 (0.48) HRH3ACHEBCHECHRM4ACACB

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