SCHEMBL3667290

SCHEMBL3667290

Cc1ccc(Cl)c(CN)c1CN

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
CYP3A4 P08684 2/20 0.38
DPP4 P27487 3/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PNMT P11086 3/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CD44 P16070 1/20 0.31
PLA2G7 Q13093 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
SCHEMBL3591836 0.80 HTR2A (0.46) TAAR1CYP3A4DPP4HTR2AHTR2C
SCHEMBL1127909 0.79 TAAR1 (0.52) TAAR1DPP4HTR2AHTR2CHTR2B
SCHEMBL9602614 0.74 IKBKB (0.45) TAAR1DPP4PNMTKMT2A
SCHEMBL29726557 0.73 TAAR1 (0.35) TAAR1PNMTLMNA
SCHEMBL8897260 0.73 TAAR1 (0.35) TAAR1PNMTLMNA
SCHEMBL395903 0.72 POLB (0.35) TAAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL1765193 0.72 PNMT (0.48) TAAR1CYP3A4DPP4HTR2AHTR2C
SCHEMBL3673505 0.71 ALDH1A1 (0.33) TAAR1ALDH1A1
SCHEMBL3676579 0.71 TAAR1 (0.34) TAAR1HTR2AHTR2CHTR2B
SCHEMBL394915 0.69 CYP1A2 (0.43) TAAR1CYP3A4DPP4HTR2AHTR2B

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