SCHEMBL7325525

SCHEMBL7325525

CC1(C)Oc2ccc(C#N)cc2C(Oc2ccnc(O)c2)C1(C)O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.39
ABCC9 O60706 6/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7329956 0.90 ABCB1 (0.38) ABCB1ABCC9KDM4E
SCHEMBL7331068 0.89 ABCB1 (0.38) ABCB1ABCC9KDM4E
SCHEMBL7326400 0.88 ABCC9 (0.43) ABCB1ABCC9KDM4E
SCHEMBL8088871 0.86 ABCC9 (0.38) ABCB1ABCC9KDM4E
SCHEMBL7333740 0.86 KDM4E (0.36) ABCB1ABCC9KDM4E
SCHEMBL8090760 0.86 KDM4E (0.40) ABCB1ABCC9KDM4E
SCHEMBL8077003 0.85 ABCB1 (0.39) ABCB1ABCC9KDM4E
SCHEMBL7324385 0.84 ABCC9 (0.38) ABCB1ABCC9KDM4E
SCHEMBL8088697 0.84 LMNA (0.31)
SCHEMBL7330402 0.84

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-0340718-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP claimed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP claimed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP claimed
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-0340718-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed