SCHEMBL7488938

SCHEMBL7488938

CN1CCC[C@H]1COc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.55
▸ CHRNB4 P30926 6/20 0.55
▸ CHRNA3 P32297 6/20 0.55
▸ CHRNB1 P11230 4/20 0.55
▸ CHRNB3 Q05901 4/20 0.55
▸ CHRNA4 P43681 5/20 0.52
▸ CHRNA5 P30532 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51

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
SCHEMBL7488933 1.00 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7488929 1.00 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7488922 1.00 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6603836 0.82 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7441682 0.82 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7441671 0.82 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL26729857 0.81 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Fumaric Acid SCHEMBL1796369 0.79 CHRNB4 (0.54) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Fumaric Acid SCHEMBL1796367 0.79 CHRNB4 (0.54) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Fumaric Acid SCHEMBL1796371 0.79 CHRNB4 (0.54) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 — — EP disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 — — US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 — — US disclosed
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