SCHEMBL7330928

SCHEMBL7330928

CC1(C)Oc2ccc(C#N)cc2C(Nc2ccc(O)nn2)C1O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.56
ABCB1 P08183 8/20 0.55

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
SCHEMBL7324414 0.83 ABCC9 (0.37) ABCC9ABCB1
SCHEMBL7335897 0.82 ABCB1 (0.59) ABCC9ABCB1
SCHEMBL7323623 0.80 ABCC9 (0.58) ABCC9ABCB1
SCHEMBL7325866 0.80 ABCB1 (0.39) ABCC9ABCB1
SCHEMBL7332877 0.80 ABCC9 (0.39) ABCC9ABCB1
SCHEMBL7333940 0.80 ABCB1 (0.56) ABCC9ABCB1
SCHEMBL8537722 0.79 ABCC9 (0.55) ABCC9ABCB1
SCHEMBL8539686 0.79 ABCC9 (0.55) ABCC9ABCB1
SCHEMBL9497211 0.79 ABCC9 (0.60) ABCC9ABCB1
SCHEMBL9497193 0.79 ABCC9 (0.60) 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 4 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
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed