SCHEMBL8465629

SCHEMBL8465629

O=C1c2cc(OCc3ccc4ccccc4n3)ccc2CCC1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.53
PDE10A Q9Y233 6/20 0.49
CYP19A1 P11511 2/20 0.48
ALOX5AP P20292 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44

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
SCHEMBL8461347 0.92 CYP19A1 (0.52) PDE10ACYP19A1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8466345 0.83 LTB4R (0.66) LTB4RPDE10ACYP19A1ALOX5AP
SCHEMBL8464260 0.83 LTB4R (0.66) LTB4RPDE10ACYP19A1ALOX5AP
SCHEMBL8464264 0.83 LTB4R (0.66) LTB4RPDE10ACYP19A1ALOX5AP
SCHEMBL8464064 0.83 CYSLTR1 (0.49) PDE10ACYSLTR2CYSLTR1
SCHEMBL8466153 0.82 LTB4R (0.67) LTB4RPDE10AALOX5AP
SCHEMBL10536527 0.81 PDE10A (0.47) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL8030854 0.80 GPBAR1 (0.55) PDE10AALOX5APCYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL9341455 0.79 GPBAR1 (0.54) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL6827906 0.79 CYP19A1 (0.76) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed