SCHEMBL9212141

SCHEMBL9212141

CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@@H]1NC(=O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.52
KDM4E B2RXH2 1/20 0.48
ABCB1 P08183 5/20 0.46
GRM4 Q14833 1/20 0.46

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
SCHEMBL9212135 1.00 ABCC9 (0.52) ABCC9KDM4EABCB1GRM4
SCHEMBL9212122 1.00 ABCC9 (0.52) ABCC9KDM4EABCB1GRM4
SCHEMBL8338045 0.87 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL8338034 0.87 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL8338039 0.87 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL9221479 0.85 ABCC9 (0.65) ABCC9KDM4EABCB1
SCHEMBL9221492 0.85 ABCC9 (0.65) ABCC9KDM4EABCB1
SCHEMBL9221502 0.85 ABCC9 (0.65) ABCC9KDM4EABCB1
SCHEMBL9211412 0.81 ABCC9 (0.61) ABCC9KDM4EABCB1
SCHEMBL9211433 0.81 ABCC9 (0.61) ABCC9KDM4EABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP claimed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed