SCHEMBL8901912

SCHEMBL8901912

C#CC(C)(C)Oc1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
APP P05067 8/20 0.37
TRPV1 Q8NER1 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PYCR1 P32322 1/20 0.32

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
SCHEMBL2008822 0.81 ELANE (0.56) ELANEAPPCA1CA2CA9
SCHEMBL9196159 0.81 ACHE (0.41) ELANECA1CA2CA9
SCHEMBL21408547 0.79 MEN1 (0.48) ELANEAPP
SCHEMBL9581834 0.79 MAPT (0.44) ELANEAPPTRPV1CA1CA2
SCHEMBL7843630 0.79 ELANE (0.39) ELANECA1CA2CA9PYCR1
SCHEMBL17186898 0.79 PPARA (0.48) ELANE
SCHEMBL8803204 0.79 ELANE (0.42) ELANETRPV1
SCHEMBL18405594 0.78 CA4 (0.39) ELANE
SCHEMBL7768141 0.76 CA1 (0.39) ELANETRPV1CA1CA2CA9
SCHEMBL6948975 0.76 KIF11 (0.41) ELANECA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed
US-5612323-A ANTIISCHEMIC BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 US disclosed
EP-0401010-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-08-21 EP disclosed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 US disclosed
EP-0401010-A2 Pyranyl cyanoguanidine derivatives E.R. Squibb & Sons, Inc. (US) 1990-12-05 EP disclosed
WO-1990012011-A1 NOVEL ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-18 WO disclosed
US-4908378-A Benzopyran derivatives and antihypertensive use thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-13 US disclosed