SCHEMBL3676579

SCHEMBL3676579

Cc1ccc(F)c(CN)c1CN

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CD274 Q9NZQ7 2/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
HTR1D P28221 1/20 0.30
PKM P14618 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL2849049 0.84 HTR2A (0.34) TAAR1SLC6A2SLC6A4SLC6A3CD274
SCHEMBL856367 0.80 P2RX7 (0.40) TAAR1SLC6A2SLC6A4SLC6A3CD274
SCHEMBL6405863 0.79 ACHE (0.48) TAAR1CD274ACHELOXL2PKM
SCHEMBL8897260 0.73 TAAR1 (0.35) TAAR1SLC6A2SLC6A4SLC6A3CYP2A6
SCHEMBL29726557 0.73 TAAR1 (0.35) TAAR1SLC6A2SLC6A4SLC6A3CYP2A6
SCHEMBL31061895 0.73 TAAR1 (0.44) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL22349469 0.73 KDM4E (0.36) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL622777 0.72 TAAR1 (0.37) TAAR1HTR2AHTR2CHTR2BLOXL2
SCHEMBL395903 0.72 POLB (0.35) TAAR1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL3667290 0.71 TAAR1 (0.38) TAAR1HTR2AHTR2CHTR2B

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