SCHEMBL7298804

SCHEMBL7298804

CC1(C)C=C(n2cc(N)ccc2=O)c2ncccc2O1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
TNKS O95271 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
SCHEMBL7375797 0.86 NPC1 (0.32) NPC1TNKS
SCHEMBL7292898 0.86 NPC1 (0.34) NPC1TNKS
SCHEMBL7298944 0.83 NPC1 (0.37) NPC1TNKS
SCHEMBL7299144 0.83 L3MBTL1 (0.37) NPC1
SCHEMBL7298551 0.82 POLB (0.33)
SCHEMBL7300599 0.82
SCHEMBL7300272 0.81 NPC1 (0.33) NPC1
SCHEMBL7291797 0.81 ALDH1A1 (0.36) NPC1
SCHEMBL7300635 0.81 TNKS (0.30) TNKS
SCHEMBL7368755 0.81 NPC1 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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