SCHEMBL8341802

SCHEMBL8341802

CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 1.00
ABCB1 P08183 2/20 0.59

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
SCHEMBL8341800 1.00 ABCC9 (1.00) ABCC9ABCB1
SCHEMBL8341798 1.00 ABCC9 (1.00) ABCC9ABCB1
SCHEMBL8341346 0.93 ABCC9 (1.00) ABCC9ABCB1
SCHEMBL8341342 0.93 ABCC9 (1.00) ABCC9ABCB1
SCHEMBL8341353 0.93 ABCC9 (1.00) ABCC9ABCB1
SCHEMBL10504977 0.90 ABCC9 (0.89) ABCC9ABCB1
SCHEMBL10504992 0.90 ABCC9 (0.89) ABCC9ABCB1
SCHEMBL10504985 0.90 ABCC9 (0.89) ABCC9ABCB1
SCHEMBL8336216 0.90 ABCC9 (1.00) ABCC9ABCB1
SCHEMBL8336223 0.90 ABCC9 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908860-A Bicyclic compounds with pharmaceutical activity SMITHKLINE BEECHAM PLC, (GB) 1999-06-01 US claimed
EP-0673373-A1 BICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-09-27 EP claimed
WO-1994013656-A1 BICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO 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