SCHEMBL1728140

SCHEMBL1728140

CNC(CN(CC=O)C(=O)O)C1CCN(c2ccc3cnc(Cl)cc3c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.35
AKT1 P31749 1/20 0.33
CCR1 P32246 3/20 0.32
GPR6 P46095 2/20 0.31
CHRM4 P08173 1/20 0.31
MAP3K5 Q99683 1/20 0.31
CBLB Q13191 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
DEGS1 O15121 1/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL1727576 0.87 ABL1 (0.35) ABL1AKT1CCR1CHRM4MAP3K5
SCHEMBL1729779 0.84 SMO (0.34) TRPV1DEGS1
SCHEMBL1730128 0.81 HTR3A (0.43) CHRM4TRPV1CNR1CNR2
SCHEMBL1729264 0.80 HTR3A (0.41)
SCHEMBL1730142 0.80 ABL1 (0.37) ABL1CHRM4
SCHEMBL1729370 0.78 HRH3 (0.43)
SCHEMBL1729453 0.77 PDE10A (0.36)
SCHEMBL1729308 0.77 HRH3 (0.44)
SCHEMBL1730195 0.76 HCAR2 (0.46)
SCHEMBL1727558 0.76 KCNH2 (0.40) DEGS1CNR2

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