SCHEMBL20145042

SCHEMBL20145042

CN1CCCC(Oc2ncc(Cl)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
PDE10A Q9Y233 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ATR Q13535 1/20 0.41
KAT2B Q92831 3/20 0.39
BPTF Q12830 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL20144818 0.81 IL1B (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL20145059 0.81 L3MBTL1 (0.49) L3MBTL1POLBCHRM2CHRM1CHRM3
SCHEMBL20145073 0.81 IL1B (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL13161940 0.74 CHRM4 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23027707 0.73 POLB (0.41) L3MBTL1POLBCHRM2CHRM1CHRM3
SCHEMBL17581176 0.73 CHRM2 (0.43) L3MBTL1POLBCHRM2CHRM1CHRM3
SCHEMBL23027705 0.73 CHRM2 (0.44) L3MBTL1POLBCHRM2CHRM1CHRM3
SCHEMBL17581293 0.72 POLB (0.38) L3MBTL1POLBCHRM2CHRM1CHRM3
SCHEMBL932866 0.71 CHRM4 (0.40) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23373228 0.71 L3MBTL1 (0.58) L3MBTL1POLBHTR2CHTR2B

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-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed