SCHEMBL20144897

SCHEMBL20144897

CCOc1ccccc1C(=O)N1CCCC(Nc2cnc3ccccc3n2)C1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.68
HCRTR1 O43613 8/20 0.68
LMNA P02545 1/20 0.49
CCNK O75909 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
MNAT1 P51948 2/20 0.47
CDK12 Q9NYV4 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
NOD2 Q9HC29 1/20 0.45

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
SCHEMBL20144919 0.84 HCRTR2 (0.67) HCRTR2HCRTR1LMNACCNKCCNA2
SCHEMBL20145234 0.84 HCRTR2 (0.67) HCRTR2HCRTR1LMNACCNKCCNA2
SCHEMBL18697642 0.82 HCRTR2 (0.69) HCRTR2HCRTR1LMNA
SCHEMBL20144784 0.82 HCRTR2 (0.69) HCRTR2HCRTR1LMNA
SCHEMBL20144958 0.81 HCRTR2 (0.69) HCRTR2HCRTR1
SCHEMBL18697565 0.81 HCRTR2 (0.69) HCRTR2HCRTR1
SCHEMBL16031311 0.81 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL16031148 0.81 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL16031146 0.81 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL16149254 0.81 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A

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