SCHEMBL8627301

SCHEMBL8627301

CCCOC1(C(F)F)C=CC(c2ccccc2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 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
SCHEMBL8630991 0.92 LTA4H (0.34)
SCHEMBL8630919 0.88 HTR2A (0.30)
SCHEMBL10599695 0.77 KDM1A (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL10337805 0.74 OPRM1 (0.30) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8632114 0.74 KDM1A (0.38)
SCHEMBL8517224 0.73 TSHR (0.32)
SCHEMBL8634390 0.73 KDM1A (0.35)
SCHEMBL8630877 0.72 SLC10A2 (0.34) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8634659 0.71 MMP2 (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8631964 0.70 MMP2 (0.35) OPRM1OPRD1OPRK1OPRL1

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-0449015-B1 Difluoromethyl compounds and liquid criystal medium MERCK PATENT GMBH (DE) 1998-07-01 EP disclosed
EP-0449015-A2 Difluoromethyl compounds and liquid criystal medium MERCK PATENT GmbH (DE) 1991-10-02 EP disclosed