SCHEMBL8085345

SCHEMBL8085345

CC(=O)Nc1ccc(=O)n(C2c3cc(C#N)ccc3OC(C)(C)C2(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
DRD3 P35462 6/20 0.42
KDM4E B2RXH2 1/20 0.41
ABCC9 O60706 6/20 0.40
ABCB1 P08183 3/20 0.39
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
KCNE1 P15382 2/20 0.37
KCNQ1 P51787 2/20 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
SCHEMBL8085315 0.87 DRD2 (0.44) DRD2DRD3KDM4EABCC9ABCB1
SCHEMBL8085192 0.87 DRD2 (0.40) DRD2DRD3KDM4EABCC9ABCB1
SCHEMBL8088410 0.85 ABCC9 (0.41) KDM4EABCC9ABCB1ABCC8KCNJ11
SCHEMBL8084231 0.84 ABCC9 (0.43) KDM4EABCC9ABCB1ABCC8KCNJ11
SCHEMBL8077025 0.84 ABCC9 (0.47) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL8084634 0.84 ABCC9 (0.40) KDM4EABCC9ABCB1ABCC8KCNJ11
SCHEMBL8085232 0.83 ABCC9 (0.42) DRD2DRD3KDM4EABCC9
SCHEMBL8088428 0.83 SMN1; SMN2 (0.40) KDM4ELMNA
SCHEMBL8090489 0.82 KDM4E (0.39) DRD2DRD3KDM4EABCC9ABCB1
SCHEMBL8088939 0.82 ABCC9 (0.40) KDM4EABCC9ABCB1ABCC8KCNJ11

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-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