SCHEMBL8077075

SCHEMBL8077075

CC1=C(n2cnc(O)cc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.35
MALT1 Q9UDY8 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
ABCB1 P08183 3/20 0.33
CYP11B2 P19099 2/20 0.32
TDP2 O95551 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL8077046 0.84 ABCC9 (0.39) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8085371 0.83 TDP2 (0.37) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8085086 0.83 MALT1 (0.35) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8085328 0.82 ABCC9 (0.36) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8090648 0.82 ABCC9 (0.35) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8077047 0.80 ABCC9 (0.37) ABCC9MALT1ABCB1TDP2MAOB
SCHEMBL9779699 0.80 ABCC9 (0.37) ABCC9MALT1GABRA1GABRG2GABRB3
SCHEMBL10696693 0.80 PDE4A (0.41) ABCC9MALT1GABRA1GABRG2GABRB3
SCHEMBL7267575 0.79 ABCC9 (0.37) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8077156 0.79 ABCC9 (0.41) ABCC9MALT1ABCC8KCNJ11KCNJ8

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 5 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
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