SCHEMBL8048367

SCHEMBL8048367

CC(C)(c1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
RBP4 P02753 1/20 0.42
CYP3A4 P08684 2/20 0.41
CACNA1B Q00975 2/20 0.41
NR1I2 O75469 1/20 0.41
CCR2 P41597 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
HSD11B1 P28845 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL3025159 0.84 CACNA1B (0.60) EPHX2CYP3A4CACNA1BNR1I2POLB
SCHEMBL8043901 0.83 HSD11B1 (0.49) EPHX2RBP4HSD11B1LMNAGRIN2B
SCHEMBL8032644 0.78 PDK2 (0.45) EPHX2RBP4CYP3A4CACNA1BNR1I2
SCHEMBL8044223 0.76 EPHX2 (0.43) EPHX2RBP4CYP3A4CACNA1BNR1I2
SCHEMBL8050179 0.75 TACR1 (0.44) EPHX2RBP4CACNA1BOPRM1OPRK1
SCHEMBL8041122 0.75 MGLL (0.49) EPHX2HSD11B1UBE2MDCUN1D1
SCHEMBL8041484 0.72 CACNA2D1 (0.51) EPHX2CACNA1BOPRM1OPRK1OPRL1
SCHEMBL8047479 0.70 NR1I2 (0.44) EPHX2CYP3A4CACNA1BNR1I2HSD11B1
SCHEMBL13221488 0.70 CACNA1B (0.60) CYP3A4CACNA1BNR1I2POLBLMNA
SCHEMBL8042064 0.70 OPRD1 (0.55) EPHX2CACNA1BCCR2UBE2MDCUN1D1

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-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO disclosed