SCHEMBL20145059

SCHEMBL20145059

CN1CCCC(Oc2ccc(Cl)cn2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
FPR2 P25090 1/20 0.47
PROKR1 Q8TCW9 1/20 0.47
POLB P06746 1/20 0.43
IL1B P01584 1/20 0.43
NLRP3 Q96P20 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
MMP1 P03956 1/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ATR Q13535 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
SCHEMBL17339936 0.85 FPR2 (0.57) FPR2PROKR1POLBMMP1HTR2C
SCHEMBL21652006 0.85 FPR2 (0.47) FPR2PROKR1MMP1HTR2CHTR2B
SCHEMBL1926965 0.83 IL1B (0.43) IL1BNLRP3CHRM2CHRM1CHRM3
SCHEMBL20145024 0.83 TDO2 (0.48) IL1BNLRP3CHRM2CHRM1CHRM3
SCHEMBL20145042 0.81 PDE3B (0.47) L3MBTL1POLBCHRM2CHRM1CHRM3
SCHEMBL20145092 0.81 FPR2 (0.43) L3MBTL1FPR2PROKR1MMP1
SCHEMBL4051291 0.80 FPR2 (0.47) L3MBTL1FPR2PROKR1MMP1
SCHEMBL20145221 0.80 IL1B (0.55) IL1BNLRP3
SCHEMBL20144750 0.80 IL1B (0.55) IL1BNLRP3
SCHEMBL5274039 0.79 MMP1 (0.44) FPR2PROKR1MMP1

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