SCHEMBL7300272

SCHEMBL7300272

CC1(C)C=C(n2ccccc2=O)c2ncccc2O1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL7369558 0.86 NPC1 (0.34) NPC1
SCHEMBL7294267 0.85 NPC1 (0.32) NPC1
SCHEMBL7368755 0.84 NPC1 (0.33) NPC1
SCHEMBL7288608 0.83 NPC1 (0.33) NPC1
SCHEMBL7298804 0.81 NPC1 (0.32) NPC1
SCHEMBL7292712 0.81 NPC1 (0.32) NPC1
SCHEMBL7292898 0.81 NPC1 (0.34) NPC1
SCHEMBL7368502 0.81 EPHX2 (0.32)
SCHEMBL7375797 0.81 NPC1 (0.32) NPC1
SCHEMBL7313380 0.81 NPC1 (0.32) NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP claimed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US claimed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP claimed
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed