SCHEMBL167849

SCHEMBL167849

COc1ccc(C2CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NNMT P40261 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
CSF1R P07333 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP2A6 P11509 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CCR2 P41597 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL16475192 0.92 PDGFRB (0.47) TRPV6SLC6A2SLC6A4SLC6A3NNMT
SCHEMBL16475195 0.92 PDGFRB (0.44) TRPV6SLC6A2SLC6A4SLC6A3NNMT
SCHEMBL5182802 0.91 KDM4E (0.50) TRPV6SLC6A2SLC6A4SLC6A3NNMT
SCHEMBL2082609 0.88 CHRNB2 (0.41) TRPV6SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL6265199 0.88 CSF1R (0.46) TRPV6SLC6A2SLC6A4SLC6A3NNMT
SCHEMBL4882863 0.88 HTR2C (0.47) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL23130915 0.86 HTR2C (0.49) CHRNB2CHRNA4CSF1R
SCHEMBL2634492 0.86 ESR2 (0.46) TRPV6SLC6A2SLC6A4SLC6A3NNMT
SCHEMBL20757728 0.83 CHRNB2 (0.46) SLC6A2SLC6A4SLC6A3NNMTCHRNB2
SCHEMBL31076325 0.83 CHRNB2 (0.46) SLC6A2SLC6A4SLC6A3NNMTCHRNB2

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 282 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed
EP-2170041-B2 ACTIVE INGREDIENT SUSPENSIONS IN GLYCERINE BAYER CROPSCIENCE AG (DE) 2020-12-23 EP disclosed
CN-110035993-A SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS 艾伯维公司 2019-07-19 CN disclosed
US-RE47142-E1 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2018-11-27 US disclosed
US-10076119-B2 Pesticidal mixtures BASF CORPORATION (US) 2018-09-18 US disclosed
US-9993003-B2 2018-06-12 US disclosed
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP disclosed
EP-3114127-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-11-29 EP disclosed
EP-1926728-B1 OXADIAZINE-SUBSTITUTED ARYLAMIDES BAYER IP GMBH (DE) 2017-04-05 EP disclosed
CN-106164068-A Isoindolinone compounds as the GPR119 regulator for the treatment of diabetes, obesity, dyslipidemia and associated conditions 赛诺菲 2016-11-23 CN disclosed
WO-2006111279-A1 OIL-BASED SUSPENSION CONCENTRATES BAYER CROPSCIENCE AG (DE) 2006-10-26 WO disclosed
WO-2006087120-A2 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2006-08-24 WO disclosed
WO-2006056333-A1 SUBSTITUTED OXYGUANIDINES BAYER CROPSCIENCE AG (DE) 2006-06-01 WO disclosed
WO-2006029867-A1 5-HETEROCYCLYL PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-03-23 WO disclosed
WO-2005117586-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATION BAYER CROPSCIENCE AG (DE) 2005-12-15 WO disclosed
WO-2005117587-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATION BAYER CROPSCIENCE AG (DE) 2005-12-15 WO disclosed
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed
WO-1995007022-A1 FUNGICIDES ZENECA LIMITED (GB) 1995-03-16 WO disclosed
WO-1993007116-A1 FUNGICIDES ZENECA LIMITED (GB) 1993-04-15 WO disclosed
EP-0366257-A1 Fungicidal N-(substituted thio)-pyridyl cyclopropane carboxamides ICI AMERICAS INC. (US) 1990-05-02 EP disclosed