SCHEMBL8320614

SCHEMBL8320614

O=C1c2ccccc2CCCN1OCc1cccc(OCc2ncc3ccccc3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.36
TNIK Q9UKE5 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
ACHE P22303 2/20 0.35
GRM5 P41594 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL8319315 0.86 CYSLTR1 (0.52) CYSLTR1GPBAR1
SCHEMBL8321628 0.79 CYSLTR1 (0.37) CYSLTR1MAOAMAOBGPBAR1
SCHEMBL8321585 0.77 CYSLTR1 (0.38) CYSLTR1GPBAR1
SCHEMBL8145110 0.77 MAOA (0.62) MAOAMAOB
SCHEMBL8318947 0.76 CYSLTR1 (0.39) CYSLTR1GPBAR1
SCHEMBL8320770 0.76 CYSLTR1 (0.49) CYSLTR1GPBAR1
SCHEMBL8143288 0.74 MAOA (0.45) MAOAMAOBGRM5
SCHEMBL8140542 0.73 MAOB (0.55) MAOAMAOB
SCHEMBL8145824 0.70 MAOB (0.63) MAOAMAOB
SCHEMBL8144813 0.70 CYSLTR1 (0.66) CYSLTR1GPBAR1

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-5885987-A ANTIHISTAMINE AGENT FOR TREATING ASTHMA, ANTILEUKOTRIENE AGENT, ANTIALLERGENS KOWA CO., LTD. (JP) 1999-03-23 US disclosed
US-5756518-A EXHIBITS ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION; IS USEFUL IN TREATMENT OF ASTHMA KOWA CO., LTD. (JP) 1998-05-26 US disclosed