SCHEMBL8085209

SCHEMBL8085209

CC1(C)Oc2ccc(C#N)cc2C(n2cc(Cl)cc([N+](=O)[O-])c2=O)C1(C)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 17/20 0.42
VCAM1 P19320 1/20 0.37
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8084277 0.91 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088505 0.89 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088707 0.88 ABCC9 (0.34) ABCC9
SCHEMBL8077252 0.87 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8085092 0.86 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088852 0.85 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088709 0.85 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8085232 0.83 ABCC9 (0.42) ABCC9
SCHEMBL8077030 0.83 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8085082 0.83 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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