SCHEMBL8090733

SCHEMBL8090733

CC1(C)Oc2ccc(C#N)cc2C(n2cnc(O)cc2=O)C1(C)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.40
ABCC9 O60706 10/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9144225 0.84 ABCC9 (0.46) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8084501 0.83 ABCC9 (0.41) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8076918 0.82 ABCC9 (0.40) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8088410 0.81 ABCC9 (0.41) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10695620 0.80 ABCC9 (0.58) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8090511 0.80 ABCC9 (0.40) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7267195 0.80 ABCC9 (0.45) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8088482 0.80 ABCC9 (0.46) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8077166 0.80 ABCC9 (0.48) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8076905 0.79 ABCC9 (0.39) ABCB1ABCC9ABCC8KCNJ11KCNJ8

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