SCHEMBL24196137

SCHEMBL24196137

CCCc1ccc(C2(C(F)(F)F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
CA2 P00918 1/20 0.35
MGLL Q99685 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
HTR1D P28221 1/20 0.33
PLK1 P53350 1/20 0.33
CACNA1H O95180 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FAAH O00519 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL19302498 0.85 SIGMAR1 (0.39) PDK2OPRM1OPRD1OPRK1OPRL1
SCHEMBL21036238 0.77 PDK2 (0.37) PDK2SIGMAR1CACNA1H
SCHEMBL21035484 0.77 CACNA1H (0.36) OPRL1SIGMAR1CA2CACNA1H
SCHEMBL24196140 0.77 LOXL2 (0.41) SIGMAR1CACNA1HMAOB
SCHEMBL26014791 0.76 PTGS1 (0.40) SIGMAR1
SCHEMBL25735734 0.76 PDK2 (0.40) PDK2SIGMAR1CACNA1H
SCHEMBL9560929 0.75 LPL (0.38) PDK2OPRM1OPRD1OPRK1OPRL1
SCHEMBL18969775 0.74 KIF11 (0.40) PDK2OPRM1OPRD1OPRK1OPRL1
SCHEMBL25801644 0.73 CACNA1H (0.39) SIGMAR1CACNA1H
SCHEMBL15981142 0.71 ESR1 (0.41) PDK2OPRM1OPRD1OPRK1OPRL1

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
WO-2022010880-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-01-13 WO disclosed