SCHEMBL8150756

SCHEMBL8150756

CC1=Cc2cc(Br)ccc2OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
AHR P35869 3/20 0.36
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
P2RY6 Q15077 1/20 0.33
HTR2C P28335 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL9047559 0.81 MEN1 (0.33) NPSR1HTR2CLMNAMAPTHTT
SCHEMBL9046855 0.80 BRD4 (0.33)
SCHEMBL9296006 0.79 PTGS1 (0.49) NPSR1CA12CA2CA9ALOX5
SCHEMBL9147516 0.79 P2RY6 (0.38) P2RY6
SCHEMBL7269294 0.75 CA12 (0.39) CA12CA9P2RY6MALT1
SCHEMBL9147344 0.75 PTGS1 (0.40) CA12CA9
SCHEMBL8156069 0.70 NR1H2 (0.40) NPSR1LMNAMAPT
SCHEMBL482227 0.69 NPSR1 (0.49) NPSR1AHRCA12CA2CA9
SCHEMBL8680866 0.69
SCHEMBL8141635 0.68 PTGIR (0.36) HTR2CALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071938-A FOR TREATMENT OF SMOOTH MUSCLE DISORDERS PFIZER INC. (US) 2000-06-06 US disclosed
US-5912244-A MUSCLE DISORDERS, BREATHING DISORDERS AND URINARY INCONTINENCE PFIZER INC. (US) 1999-06-15 US disclosed
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US disclosed
EP-0712398-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1997-05-07 EP disclosed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
EP-0712398-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1996-05-22 EP disclosed
US-5447943-A Smooth muscle relaxants or bronchodilators SYNTEX (U.S.A.) INC. (US) 1995-09-05 US disclosed
WO-1995004730-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LIMITED (GB) 1995-02-16 WO disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed
US-5250547-A Potassium channel activators; 5-lipoxygenase inhibitors; muscle relaxants; bronchodilators SYNTEX (U.S.A.) INC. (US) 1993-10-05 US disclosed
EP-0529654-A1 Benzopyran derivatives as potassium channel activators and 5-lipoxygenase inhibitors SYNTEX (U.S.A.) INC. (US) 1993-03-03 EP disclosed