SCHEMBL22912943

SCHEMBL22912943

NNc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCOCC2)CN3c2ccccc2)cc1N

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 7/20 0.69
NPC1L1 Q9UHC9 13/20 0.57

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
SCHEMBL22912994 0.85 DDR1 (0.72) DDR1NPC1L1
SCHEMBL20187160 0.80 DDR1 (0.68) DDR1NPC1L1
SCHEMBL18374171 0.79 DDR1 (0.79) DDR1NPC1L1
SCHEMBL20187012 0.79 DDR1 (1.00) DDR1
SCHEMBL18373985 0.77 DDR1 (1.00) DDR1
SCHEMBL20187099 0.76 DDR1 (0.64) DDR1NPC1L1
SCHEMBL20187219 0.74 NPC1L1 (0.74) DDR1NPC1L1
SCHEMBL22912953 0.72 DDR1 (0.79) DDR1
SCHEMBL22914331 0.71 DDR1 (0.78) DDR1
SCHEMBL18373894 0.70 DDR1 (1.00) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed