SCHEMBL8801873

SCHEMBL8801873

O=C1CCCc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
MAOA P21397 4/20 0.58
CYSLTR1 Q9Y271 4/20 0.50
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
ALOX5AP P20292 3/20 0.47

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
SCHEMBL8801610 0.92 MAOA (0.56) MAOBMAOACYSLTR1CYSLTR2
SCHEMBL7483348 0.82 PDE10A (0.60) CYSLTR1PDE10ACYSLTR2ALOX5AP
SCHEMBL8800863 0.81 MAOB (0.67) MAOBMAOACYSLTR1FFAR1AKR1B1
Hydrochloric Acid SCHEMBL7532657 0.81 PDE10A (0.58) CYSLTR1PDE10ACYSLTR2ALOX5AP
SCHEMBL8800859 0.80 GPBAR1 (0.53) MAOBMAOACYSLTR1FFAR1AKR1B1
SCHEMBL8140420 0.80 PDE10A (0.49) MAOBMAOACYSLTR1FFAR1AKR1B1
SCHEMBL6584542 0.79 DRD2 (0.56) MAOBMAOA
SCHEMBL8140542 0.78 MAOB (0.55) MAOBMAOA
SCHEMBL8801736 0.78 CYSLTR1 (0.58) MAOBMAOACYSLTR1CYSLTR2ALOX5AP
SCHEMBL8801508 0.77 CYSLTR1 (0.51) CYSLTR1FFAR1AKR1B1PDE10ACYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed