SCHEMBL17935747

SCHEMBL17935747

CC1CCC(c2ccccc2)(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.55
OPRL1 P41146 3/20 0.55
THRB P10828 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
GRIN1 Q05586 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL8101425 0.84 OPRM1 (0.50) OPRM1CYP2C9GRIN2DGRIN3BCHRM2
SCHEMBL17931718 0.81 OPRM1 (0.41) OPRM1CYP2C9GRIN2DGRIN3BCHRM2
SCHEMBL17935606 0.81 OPRM1 (0.59) OPRM1OPRL1THRBMAOAMAOB
SCHEMBL17935610 0.80 OPRM1 (0.57) OPRM1OPRL1THRBALDH1A1TSHR
Diethylamine SCHEMBL11103207 0.73 KDM1A (0.42) OPRM1KDM1ACYP2C9GRIN2DGRIN3B
SCHEMBL4345677 0.71 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL2997525 0.70 ALDH1A1 (0.57) ALDH1A1HTT
SCHEMBL237553 0.70 ESR2 (0.59) ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL25293060 0.69 OPRM1 (0.49) OPRM1OPRL1THRBMAOAMAOB
SCHEMBL31263 0.68 HTR2C (0.61) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10777850-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-09-15 US disclosed
US-20190051941-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-02-14 US disclosed
US-10177414-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-01-08 US disclosed
US-20160322669-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-11-03 US disclosed
US-9461334-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-10-04 US disclosed
US-20160211553-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-21 US disclosed