SCHEMBL9804979

SCHEMBL9804979

CCCCC(C#N)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.49
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL11849355 0.95 CCR1 (0.48) CCR1SLC6A2SLC6A4SLC6A3GAA
SCHEMBL11852738 0.93 CCR1 (0.47) CCR1SLC6A2SLC6A4SLC6A3GAA
SCHEMBL7294325 0.89 CCR1 (0.45) CCR1SLC6A2SLC6A4SLC6A3GAA
SCHEMBL29171617 0.85 CCR1 (0.51) CCR1ALDH1A1MAPTESR1ESR2
SCHEMBL3166313 0.84 HRH3 (0.42) CCR1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL11861977 0.82 CCR1 (0.44) CCR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL11848078 0.82 ALDH1A1 (0.39) CCR1GAAALDH1A1MAPTHPGD
SCHEMBL19676603 0.82 ESR2 (0.43) CCR1ALDH1A1ESR1ESR2
SCHEMBL28236506 0.82 ESR2 (0.36) CCR1SLC6A3ALDH1A1MAPTESR1
SCHEMBL1445763 0.81 CCR1 (0.42) CCR1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102060791-B Preparation method of myclobutanil as a triazole bactericide ZHANGJIAGANG HANKANG CHEMICAL CO LTD 2012-12-26 CN disclosed
CN-101538250-B Preparation method of bulk myclobutanil HUBEI XIANLONG CHEMICAL INDUSTRY CO LTD 2012-03-07 CN disclosed
CN-102060791-A Preparation method of myclobutanil as a triazole bactericide ZHANGJIAGANG HANKANG CHEMICAL CO LTD 2011-05-18 CN disclosed
CN-101948407-A Preparation method of 1-chloro-2-cyano-2-(4-chlorphenyl) hexane NANTONG CHENGXIN AMINO ACID CO LTD 2011-01-19 CN disclosed
CN-101538250-A Preparation method of bulk myclobutanil HUBEI XIANLONG CHEMICAL INDUST 2009-09-23 CN disclosed
CN-1055609-C Process for preparing agricultural fungicide myclobutanil JIANSU PROV INST OF AGRICULTUR (CN) 2000-08-23 CN disclosed
CN-1119062-A Process for preparing agricultural fungicide myclobutanil JIANGSU INST OF PESTICIDE (CN) 1996-03-27 CN disclosed
EP-0276920-B1 (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4920139-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1990-04-24 US disclosed
EP-0145294-B1 SUBSTITUTED TRIAZOLES, PROCESSES FOR MAKING THEM, THEIR USE AS FUNGICIDES AND FUNGICIDAL COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1989-10-18 EP disclosed
EP-0276920-A1 (2-Cyano-2-(phenyl or naphthyl)-2-substituted-ethyl) pyrazines, pyrimidines and pyridazines ROHM AND HAAS COMPANY (US) 1988-08-03 EP disclosed