SCHEMBL8370943

SCHEMBL8370943

CCCC1CCC(C2CCC(C(C)c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.37
TEAD1 P28347 6/20 0.36
RPS6KB1 P23443 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TACR1 P25103 1/20 0.33

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
SCHEMBL9227942 0.93 PDE2A (0.38) PDE2ARPS6KB1OPRM1OPRK1OPRL1
SCHEMBL8433409 0.86 SLC6A3 (0.35)
SCHEMBL9620254 0.84 CCR5 (0.37) CYP2C9
SCHEMBL8437397 0.84 TLR4 (0.34) CYP2C9
SCHEMBL8433543 0.83 MAPK1 (0.34) CYP2C9TSHR
SCHEMBL8380860 0.83 FPR2 (0.41)
SCHEMBL9646657 0.83 PDE2A (0.41) PDE2AOPRM1TSHR
SCHEMBL7913831 0.82 GAA (0.36) OPRM1OPRK1OPRL1CYP2C9TACR1
SCHEMBL8437731 0.82 MAOB (0.38) CYP2C9
SCHEMBL9751893 0.82 CYP2C9 (0.49) CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494368-B1 Supertwist liquid crystal display MERCK PATENT GMBH (DE) 1999-01-20 EP disclosed
EP-0494368-A2 Supertwist liquid crystal display MERCK PATENT GmbH (DE) 1992-07-15 EP disclosed