SCHEMBL20145199

SCHEMBL20145199

CN1CCC[C@@H](Oc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 9/20 0.55
LIPG Q9Y5X9 1/20 0.52
MET P08581 1/20 0.48
IL1B P01584 1/20 0.47
NLRP3 Q96P20 1/20 0.47
TDO2 P48775 1/20 0.46
HSD11B1 P28845 3/20 0.46
HCRTR1 O43613 2/20 0.46
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20144750 0.92 IL1B (0.55) LIPELIPGIL1BNLRP3HSD11B1
SCHEMBL20145221 0.92 IL1B (0.55) LIPELIPGIL1BNLRP3HSD11B1
SCHEMBL18855867 0.85 LIPE (0.53) LIPELIPGHSD11B1EPHX2SMN1; SMN2
SCHEMBL30755072 0.83 LIPE (0.52) LIPELIPGHSD11B1EPHX2SMN1; SMN2
SCHEMBL16839482 0.83 LIPE (0.52) LIPELIPGHSD11B1EPHX2SMN1; SMN2
SCHEMBL20147461 0.82 LIPE (0.57) LIPELIPGHSD11B1EPHX2
SCHEMBL20070180 0.81 LIPE (0.57) LIPELIPGHSD11B1EPHX2
SCHEMBL12425916 0.81 LIPE (0.52) LIPELIPGHSD11B1HCRTR1EPHX2
SCHEMBL20070188 0.81 LIPE (0.56) LIPELIPGHSD11B1EPHX2
SCHEMBL20145106 0.80 LIPG (0.53) LIPELIPGHSD11B1HCRTR1EPHX2

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