SCHEMBL22912971

SCHEMBL22912971

N=Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N(CCO)CC(F)(F)F)CN3c2ccccc2)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 16/20 0.68
DDR2 Q16832 1/20 0.47
NPC1L1 Q9UHC9 4/20 0.47

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
SCHEMBL18374548 0.81 DDR1 (1.00) DDR1DDR2
SCHEMBL22913194 0.77 DDR1 (0.70) DDR1NPC1L1
SCHEMBL20187139 0.74 DDR1 (0.69) DDR1NPC1L1
SCHEMBL18374549 0.74 DDR1 (1.00) DDR1DDR2
SCHEMBL18374207 0.72 DDR1 (1.00) DDR1DDR2
SCHEMBL20187157 0.71 DDR1 (0.64) DDR1NPC1L1
SCHEMBL18373989 0.70 DDR1 (1.00) DDR1DDR2
SCHEMBL5558533 0.70 DDR1 (0.64) DDR1NPC1L1
SCHEMBL22912994 0.70 DDR1 (0.72) DDR1DDR2NPC1L1
SCHEMBL22912954 0.69 DDR1 (0.64) DDR1DDR2NPC1L1

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