SCHEMBL9736957

SCHEMBL9736957

Nc1ccc(OCCCCNCc2ccc3ccccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.50
CYSLTR2 Q9NS75 8/20 0.50
GPBAR1 Q8TDU6 4/20 0.48
PDE10A Q9Y233 4/20 0.43
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 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
SCHEMBL9736899 0.85 MAPT (0.43) CYSLTR1CYSLTR2PDE10A
SCHEMBL9739211 0.82 DRD2 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL1694951 0.80 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10614795 0.78 HDAC1 (0.48) CYSLTR1CYSLTR2
SCHEMBL28332341 0.78 HDAC1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL11935004 0.77 MC4R (0.48) CYSLTR1CYSLTR2
SCHEMBL4725706 0.76 MC4R (0.51) CYSLTR1CYSLTR2
SCHEMBL30388584 0.76 KDM1A (0.50) CYSLTR1CYSLTR2PDE10A
SCHEMBL9736388 0.75 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10616742 0.74 KDM1A (0.49) CYSLTR1CYSLTR2PDE10A

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