SCHEMBL8537722

SCHEMBL8537722

Cn1nc(NC2c3cc(C#N)ccc3OC(C)(C)C2O)ccc1=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.55
ABCB1 P08183 7/20 0.53

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
SCHEMBL8539686 1.00 ABCC9 (0.55) ABCC9ABCB1
SCHEMBL8589788 0.88 KDM4E (0.47) ABCC9ABCB1
SCHEMBL8542268 0.87 ABCC9 (0.55) ABCC9ABCB1
SCHEMBL8544242 0.87 ABCB1 (0.56) ABCC9ABCB1
SCHEMBL8535237 0.85 ABCC9 (0.42) ABCC9ABCB1
Water SCHEMBL8539489 0.85 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL8536420 0.85 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL9472103 0.84 ABCB1 (0.59) ABCC9ABCB1
SCHEMBL8544061 0.81 ABCB1 (0.40) ABCC9ABCB1
SCHEMBL8539388 0.81 ABCB1 (0.40) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489327-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1998-05-27 EP claimed
EP-0489327-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1992-06-10 EP claimed
JP-4300880-A None JP disclosed
EP-0489327-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1998-05-27 EP disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed
US-5238937-A PYRIDAZINY OR OXODIHYDROPYRIDAZINYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 1993-08-24 US disclosed
JP-H04300880-A CHROMAN DERIVATIVE MERCK PATENT GMBH 1992-10-23 JP disclosed
EP-0489327-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1992-06-10 EP disclosed