SCHEMBL9447109

SCHEMBL9447109

N#Cc1cc(N)ccc1OCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.49
CYSLTR2 Q9NS75 2/20 0.49
PDE10A Q9Y233 1/20 0.46
GPBAR1 Q8TDU6 7/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.43
ALOX5AP P20292 2/20 0.43

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
SCHEMBL10663836 0.84 CYSLTR1 (0.56) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL4414437 0.81 CYSLTR1 (0.52) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL9447091 0.80 CYSLTR1 (0.44) CYSLTR1CYSLTR2PDE10AGPBAR1KDM4E
SCHEMBL28791816 0.76 GPBAR1 (0.49) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL8807037 0.76 MAOB (0.60) KDM4EALDH1A1USP2GAA
SCHEMBL1423592 0.75 PDE10A (0.48) CYSLTR1CYSLTR2PDE10A
SCHEMBL13626794 0.74 GPBAR1 (0.47) CYSLTR1GPBAR1ALOX5AP
SCHEMBL1694951 0.74 CYSLTR1 (0.76) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9363352 0.74 CYSLTR1 (0.61) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL8179931 0.74 PDE10A (0.64) CYSLTR1CYSLTR2PDE10AGPBAR1

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
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed