SCHEMBL14237494

SCHEMBL14237494

COC(C)COc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.33
LMNA P02545 2/20 0.32
SCN4A P35499 3/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
KCNK3 O14649 1/20 0.30
CACNA1F O60840 1/20 0.30
KCNK2 O95069 1/20 0.30
GBA1 P04062 1/20 0.30
MAOA P21397 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
SCN1A P35498 1/20 0.30
HTR2B P41595 1/20 0.30
SCN7A Q01118 1/20 0.30
CACNA1D Q01668 1/20 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
SCHEMBL11370574 0.84
SCHEMBL264457 0.83 POLB (0.37) LMNASCN4ACYP1A2CYP3A4CYP2D6
SCHEMBL8494386 0.79 CYP2C9 (0.33) CYP2C9TSHR
SCHEMBL4776326 0.79 FFAR1 (0.40) LMNASCN4A
SCHEMBL4754076 0.78 HTR2C (0.39) SCN4ACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2230868 0.76 THRA (0.33) CYP3A4
SCHEMBL19405368 0.76 GPR88 (0.37)
SCHEMBL15653498 0.76 NR2E1 (0.31)
SCHEMBL5474677 0.76
SCHEMBL10785094 0.76 LMNA (0.34) LMNACYP1A2

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-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed