SCHEMBL7362920

SCHEMBL7362920

Cn1ccc(OC2c3cc(C#N)ccc3OC(C)(C)C2(C)O)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.40
ABCC9 O60706 6/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL7326764 0.87 ABCC9 (0.39) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8077175 0.81 ABCC9 (0.52) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8084949 0.81 ABCB1 (0.40) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7330766 0.79 ABCB1 (0.40) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7326400 0.79 ABCC9 (0.43) ABCB1ABCC9KDM4E
SCHEMBL7325525 0.78 ABCB1 (0.39) ABCB1ABCC9KDM4E
SCHEMBL7329956 0.77 ABCB1 (0.38) ABCB1ABCC9KDM4E
SCHEMBL8077003 0.76 ABCB1 (0.39) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8076905 0.76 ABCC9 (0.39) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7331068 0.76 ABCB1 (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 7 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-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-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed