SCHEMBL29444522

SCHEMBL29444522

O=C(CN1C(=O)C2(CCNCC2)c2ccccc21)NCC(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 18/20 0.59
PPARG P37231 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
OPRL1 P41146 1/20 0.46
DDR2 Q16832 1/20 0.44

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
SCHEMBL19211076 1.00 DDR1 (0.59) DDR1PPARGNR2E3NCOR2OPRL1
SCHEMBL19235349 0.86 DDR1 (0.62) DDR1PPARGNR2E3NCOR2
SCHEMBL19235257 0.86 DDR1 (0.62) DDR1PPARGNR2E3NCOR2
SCHEMBL31414312 0.86 DDR1 (0.56) DDR1PPARGNR2E3NCOR2OPRL1
SCHEMBL19210996 0.85 DDR1 (0.62) DDR1PPARGNR2E3NCOR2
SCHEMBL19235258 0.85 DDR1 (0.62) DDR1PPARGNR2E3NCOR2
SCHEMBL19211044 0.85 DDR1 (0.61) DDR1DDR2
SCHEMBL19235203 0.85 DDR1 (0.60) DDR1DDR2
SCHEMBL23234210 0.85 DDR1 (0.64) DDR1PPARGNR2E3NCOR2OPRL1
SCHEMBL20783237 0.84 DDR1 (0.61) DDR1DDR2

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
CN-108884096-B Spiroindolinones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2022-03-22 CN disclosed