SCHEMBL7330935

SCHEMBL7330935

CC1(C)Oc2ccc(C#N)cc2C(Nc2ccnc(O)c2)C1(C)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.39
ABCC9 O60706 9/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7326375 0.84
SCHEMBL7330716 0.83 ABCB1 (0.41) ABCB1ABCC9KDM4E
SCHEMBL7331870 0.80 ABCC9 (0.39) ABCB1ABCC9KDM4E
SCHEMBL7325525 0.80 ABCB1 (0.39) ABCB1ABCC9KDM4E
SCHEMBL7325866 0.80 ABCB1 (0.39) ABCB1ABCC9KDM4E
SCHEMBL7333940 0.80 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL7323133 0.78 ABCC9 (0.39) ABCB1ABCC9KDM4E
SCHEMBL7358720 0.73 ABCC9 (0.41) ABCB1ABCC9KDM4E
SCHEMBL9443572 0.73 ABCC9 (0.42) ABCB1ABCC9KDM4E
SCHEMBL7324385 0.73 ABCC9 (0.38) ABCB1ABCC9KDM4E

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed