SCHEMBL8338034

SCHEMBL8338034

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)c2ccccn2)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.69
ABCB1 P08183 7/20 0.57

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
SCHEMBL8338039 1.00 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL8338045 1.00 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL9530178 0.88 ABCC9 (0.58) ABCC9ABCB1
SCHEMBL9530172 0.88 ABCC9 (0.58) ABCC9ABCB1
SCHEMBL9530187 0.88 ABCC9 (0.58) ABCC9ABCB1
SCHEMBL9530191 0.88 ABCC9 (0.58) ABCC9ABCB1
SCHEMBL9212135 0.87 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL9212141 0.87 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL9212122 0.87 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL9530281 0.86 ABCC9 (0.56) ABCC9ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126311-B1 BENZOPYRAN DERIVATIVES. BEECHAM GROUP PLC (GB) 1989-09-13 EP claimed
US-4571406-A Anti-hypertensive chromans and chromenes BEECHAM GROUP P.L.C. (GB) 1986-02-18 US claimed
EP-0126311-A2 Benzopyran derivatives. BEECHAM GROUP PLC (GB) 1984-11-28 EP claimed
US-5908860-A Bicyclic compounds with pharmaceutical activity SMITHKLINE BEECHAM PLC, (GB) 1999-06-01 US disclosed
EP-0673373-A1 BICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-09-27 EP disclosed
WO-1994013656-A1 BICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO disclosed
EP-0126311-B1 BENZOPYRAN DERIVATIVES. BEECHAM GROUP PLC (GB) 1989-09-13 EP disclosed
US-4571406-A Anti-hypertensive chromans and chromenes BEECHAM GROUP P.L.C. (GB) 1986-02-18 US disclosed