SCHEMBL9736388

SCHEMBL9736388

CN(CCCOc1ccc(N)cc1)Cc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.48
CYSLTR2 Q9NS75 5/20 0.48
GPBAR1 Q8TDU6 4/20 0.48
ALOX5 P09917 1/20 0.45
PDE10A Q9Y233 5/20 0.43
HTR5A P47898 1/20 0.41

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
SCHEMBL9737271 0.88 MAPT (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9736902 0.86 MAPT (0.45) PDE10AHTR5A
SCHEMBL9737655 0.82 KCNH2 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5PDE10A
SCHEMBL9733233 0.81 CACNA1F (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5PDE10A
SCHEMBL7234281 0.77 TSHR (0.64)
SCHEMBL1694951 0.77 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1ALOX5PDE10A
SCHEMBL21066731 0.77 GPBAR1 (0.48) CYSLTR1CYSLTR2GPBAR1ALOX5PDE10A
SCHEMBL24943586 0.76 NCF1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5PDE10A
SCHEMBL4870435 0.75 CARM1 (0.51) CYSLTR1CYSLTR2ALOX5PDE10A
SCHEMBL9736957 0.75 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed
WO-1991009023-A1 N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-27 WO disclosed