SCHEMBL7330766

SCHEMBL7330766

Cn1nc(OC2c3cc(C#N)ccc3OC(C)(C)C2(C)O)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.40
ABCC9 O60706 6/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL7394642 0.88 ABCC9 (0.39) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9735752 0.87 ABCB1 (0.36) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9150597 0.85 TRPV1 (0.34) LMNAAXLTYRO3MERTK
SCHEMBL7332446 0.82 MAPT (0.33) ABCC9LMNAAXLTYRO3MERTK
SCHEMBL7323624 0.81 ABCC9 (0.40) ABCB1ABCC9KDM4E
SCHEMBL7869407 0.81 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4256349 0.81 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7359526 0.81 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7331735 0.81 ABCB1 (0.39) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5578941 0.81 ABCC9 (0.53) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340718-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP claimed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP claimed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP claimed
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-0340718-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP disclosed
EP-0442141-A1 Pharmaceutical preparation MERCK PATENT GmbH (DE) 1991-08-21 EP disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed