SCHEMBL3676586

SCHEMBL3676586

Cc1ccc(CN)c(CN)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL3411604 0.82 LOXL2 (0.37) HTR2AHTR2CHTR2BTAAR1LOXL2
SCHEMBL2849049 0.80 HTR2A (0.34) HTR2AHTR2CHTR2BTAAR1LOXL2
SCHEMBL26259022 0.80 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL8897260 0.79 TAAR1 (0.35) TAAR1
SCHEMBL29726557 0.79 TAAR1 (0.35) TAAR1
SCHEMBL3667007 0.77 TAAR1 (0.34) HTR2AHTR2CHTR2BTAAR1
SCHEMBL3591836 0.77 HTR2A (0.46) HTR2AHTR2CHTR2BTAAR1P2RX7
SCHEMBL21872599 0.77 PNMT (0.43) HTR2AHTR2CHTR2BTAAR1LOXL2
SCHEMBL6400991 0.76 LOXL2 (0.36) HTR2AHTR2CHTR2BTAAR1LOXL2
SCHEMBL3667297 0.74 PNMT (0.40) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed