SCHEMBL8320770

SCHEMBL8320770

O=C1c2ccccc2CCCN1OCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.49
GPBAR1 Q8TDU6 1/20 0.47
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
CYSLTR2 Q9NS75 6/20 0.46
ALOX5 P09917 4/20 0.45
HDAC6 Q9UBN7 1/20 0.44
PDE10A Q9Y233 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
SCHEMBL8319315 0.90 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8320614 0.76 CYSLTR1 (0.36) CYSLTR1GPBAR1
SCHEMBL8019618 0.72 MAOA (0.62) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL8140420 0.71 PDE10A (0.49) CYSLTR1FFAR1AKR1B1CYSLTR2PDE10A
SCHEMBL10544473 0.71 CYSLTR1 (0.84) CYSLTR1GPBAR1FFAR1AKR1B1CYSLTR2
SCHEMBL8317460 0.70 CYSLTR1 (0.74) CYSLTR1GPBAR1FFAR1AKR1B1CYSLTR2
SCHEMBL8801873 0.70 MAOB (0.58) CYSLTR1FFAR1AKR1B1CYSLTR2PDE10A
SCHEMBL8801952 0.70 MAOA (0.62) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL8503497 0.69 CYSLTR1 (0.66) CYSLTR1GPBAR1FFAR1AKR1B1CYSLTR2
SCHEMBL27410711 0.69 FFAR1 (0.67) CYSLTR1GPBAR1FFAR1AKR1B1CYSLTR2

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