SCHEMBL1727780

SCHEMBL1727780

O=C(O)NCCC1CCN(c2ccc3cnc(Cl)cc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 12/20 0.52
CHRM2 P08172 4/20 0.43
ABL1 P00519 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL3265721 0.85 CHRM4 (0.45) CHRM4CHRM2ABL1CHRM1
SCHEMBL3270574 0.84 CHRM4 (0.44) CHRM4CHRM2ABL1CHRM1CHRM3
SCHEMBL1730076 0.81 CHRM4 (0.46) CHRM4CHRM2MAOAMAOBCHRM1
SCHEMBL1727574 0.78 CHRM4 (0.38) CHRM4ABL1
SCHEMBL1728139 0.78 CHRM4 (0.39) CHRM4ABL1
SCHEMBL1729026 0.77 CHRM4 (0.59) CHRM4CHRM2
SCHEMBL1728734 0.76 CHRM4 (0.51) CHRM4CHRM2CHRM1
SCHEMBL5240063 0.74 AKR1C3 (0.46) ABL1CHRM1
SCHEMBL20445945 0.74 CHRM2 (0.45) CHRM4CHRM2
SCHEMBL1728885 0.74 CHRM4 (0.53) CHRM4ABL1

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