Sugi Predict

Sugi Predict / Compounds / SCHEMBL8937658

SCHEMBL8937658

SCHEMBL8937658

C=CCOc1ccc(-c2ccc(-c3ccc(C4=CCC(CCCCC)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ HTR2A P28223 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
SCHEMBL8937813 0.99 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8936261 0.94 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8937517 0.94 HTR2C (0.34) HTR2CHTR2BHTR2A
SCHEMBL8936417 0.93 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8939225 0.92 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL8939306 0.92 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL8939399 0.92 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL8932609 0.91 NAAA (0.34) —
SCHEMBL8965745 0.91 HTR2C (0.31) HTR2CHTR2BHTR2A
SCHEMBL8965971 0.90 HTR2C (0.30) HTR2CHTR2B

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 — — EP disclosed