SCHEMBL7269378

SCHEMBL7269378

CC1(C)Oc2ccc(C#N)cc2C(n2ccccc2=O)C1OC=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.48
ABCC8 Q09428 2/20 0.48
KCNJ11 Q14654 2/20 0.48
KCNJ8 Q15842 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
ABCB1 P08183 9/20 0.47

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
SCHEMBL7267817 0.89 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9735348 0.87 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10694928 0.86 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084602 0.86 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL9142302 0.84 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL7273953 0.84 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL231719 0.84 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL4258884 0.84 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL6375795 0.84 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088761 0.82 ABCC9 (0.38) ABCC9LMNA

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
EP-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed