SCHEMBL932553

SCHEMBL932553

NCc1cccc(Cl)c1CN

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.67
TAAR1 Q96RJ0 4/20 0.54
DPP4 P27487 3/20 0.54
IDO1 P14902 5/20 0.42
AKR1B1 P15121 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL110460 0.85 TAAR1 (0.64) PNMTTAAR1DPP4AKR1B1CYP1A2
SCHEMBL18298449 0.85 PNMT (0.59) PNMTTAAR1DPP4IDO1AKR1B1
SCHEMBL28787924 0.85 PNMT (0.54) PNMTTAAR1DPP4IDO1AKR1B1
SCHEMBL29419395 0.85 PNMT (0.59) PNMTTAAR1DPP4IDO1AKR1B1
SCHEMBL15129530 0.85 PNMT (0.54) PNMTTAAR1DPP4IDO1AKR1B1
Hydrochloric Acid SCHEMBL7895201 0.82 TAAR1 (0.61) PNMTTAAR1DPP4IDO1AKR1B1
SCHEMBL5399463 0.82 PNMT (0.52) PNMTTAAR1DPP4
SCHEMBL42705 0.80 PNMT (1.00) PNMTTAAR1DPP4IDO1
Iodide SCHEMBL28723808 0.79 PNMT (0.50) PNMTTAAR1DPP4
SCHEMBL19825564 0.79 TAAR1 (0.52) PNMTTAAR1DPP4AKR1B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772438-B2 Preparation of polyamides Invista North America S.är.l. (US) 2014-07-08 US disclosed
US-20120264907-A1 PREPARATION OF POLYAMIDES INVISTA NORTH AMERICA S.A.R.L. (US) 2012-10-18 US disclosed
EP-2451863-A1 PREPARATION OF POLYAMIDES Invista Technologies S.A R.L. (CH) 2012-05-16 EP disclosed
WO-2011004138-A1 PREPARATION OF POLYAMIDES INVISTA TECHNOLOGIES S.A.R.L. (CH) 2011-01-13 WO disclosed
CN-101679291-A Imidazolidine carboxamide derivatives as P2X7 modulators GLAXO GROUP LTD 2010-03-24 CN disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
CN-101395150-A Phenethanolamine derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-03-25 CN 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
EP-0397767-B1 ARTICLE WITH MOISTURE-INSENSITIVE OXYGEN BARRIER PROPERTIES ALLIED SIGNAL INC (US) 1994-06-08 EP disclosed
EP-0397767-A1 ARTICLE WITH MOISTURE-INSENSITIVE OXYGEN BARRIER PROPERTIES. ALLIED SIGNAL INC (US) 1990-11-22 EP disclosed
WO-1989006664-A1 ARTICLE WITH MOISTURE-INSENSITIVE OXYGEN BARRIER PROPERTIES ALLIED-SIGNAL INC. (US) 1989-07-27 WO disclosed
US-4826955-A LACTAM OR AMINOCARBOXYLIC ACID, DIACID, DIAMINE ALLIED-SIGNAL INC. (US) 1989-05-02 US disclosed
US-4278779-A BLEND OF POLYPHENYLENE ISOPHTHALAMIDE AND ANOTHER POLYAMIDE BASED ON A XYLYLENEDIAMINE NAKAGAWA YASUO 1981-07-14 US disclosed