SCHEMBL8042787

SCHEMBL8042787

CC#CCCc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 7/20 0.52
TAAR1 Q96RJ0 3/20 0.47
HTR2A P28223 1/20 0.46
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAOB P27338 1/20 0.36
IDO1 P14902 2/20 0.35
CXCR3 P49682 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL8041091 0.78 PYCR1 (0.36) PYCR1IDO1
SCHEMBL17592838 0.78 TAAR1 (0.42) PYCR1TAAR1HTR2APOLBCTDSP1
SCHEMBL3919310 0.77 GRM5 (0.49) TAAR1HTR2AMAOBCYP2A6
SCHEMBL27379751 0.76 GRM5 (0.33)
SCHEMBL20033469 0.74 TAAR1 (0.42) PYCR1TAAR1HTR2AMAOBIDO1
SCHEMBL2026682 0.73 MEN1 (0.52) PYCR1TAAR1HTR2AMAOBIDO1
SCHEMBL12964909 0.73 PYCR1 (0.53) PYCR1TAAR1HTR2APOLBCTDSP1
SCHEMBL98012 0.73 TAAR1 (0.50) PYCR1TAAR1HTR2APOLBCTDSP1
SCHEMBL5546173 0.73 TAAR1 (0.50) PYCR1TAAR1HTR2APOLBCTDSP1
SCHEMBL18245397 0.73 TAAR1 (0.50) PYCR1TAAR1HTR2APOLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
CN-1135515-A Liquid crystal alkynyl tolane compound, liquid crystal composition and liquid crystal display part CHISSO CORP (JP) 1996-11-13 CN disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed