SCHEMBL22277170

SCHEMBL22277170

C=CC1CCC(CCC2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.30

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
SCHEMBL19421005 1.00 OPRL1 (0.30) OPRL1
SCHEMBL15681398 0.94 KDM1A (0.32)
SCHEMBL2211965 0.94 KDM1A (0.32)
SCHEMBL1310984 0.94 KDM1A (0.32)
SCHEMBL22277498 0.91 SCN9A (0.32)
SCHEMBL22277444 0.91 OPRL1 (0.30) OPRL1
SCHEMBL22277549 0.91 OPRL1 (0.30) OPRL1
SCHEMBL22277165 0.91 KDM1A (0.30)
SCHEMBL22277547 0.91 KDM1A (0.30)
SCHEMBL12716574 0.90 KDM1A (0.34)

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
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed