SCHEMBL8032722

SCHEMBL8032722

CC1CC(=O)c2cc(OCc3ccc4ccccc4n3)cnc2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.49
CYSLTR2 Q9NS75 2/20 0.49
GRM5 P41594 1/20 0.48
ALOX5 P09917 1/20 0.48
GPBAR1 Q8TDU6 7/20 0.46
PDE10A Q9Y233 1/20 0.46
ALOX5AP P20292 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
SCHEMBL8462384 0.81 CYSLTR1 (0.44) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL8019571 0.80 GRM5 (0.58) GRM5
SCHEMBL8462301 0.80 CYSLTR1 (0.44) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL8461158 0.80 CYSLTR1 (0.49) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL8461147 0.80 CYSLTR1 (0.49) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL8461154 0.80 CYSLTR1 (0.49) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL8029124 0.78 GPBAR1 (0.49) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL8032680 0.78 GPBAR1 (0.49) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL8032678 0.78 GPBAR1 (0.49) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL8029247 0.78 ALOX5 (0.44) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed