SCHEMBL13014287

SCHEMBL13014287

CCOC(=O)C1=C(C)Nc2[nH]c(=O)nc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2[C@@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
ACHE P22303 4/20 0.43
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
BCHE P06276 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL13013474 0.86 ADORA3 (0.43) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014249 0.85 MAPT (0.47) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014246 0.85 ADORA3 (0.42) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13013471 0.84 ADORA3 (0.41) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014019 0.84 ADORA3 (0.43) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014291 0.82 ALDH1A1 (0.46) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014277 0.82 OPRD1 (0.45) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014069 0.82 ADORA3 (0.41) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014316 0.81 ADORA3 (0.46) ADORA3ACHECACNA1FCACNA1DCACNA1S
SCHEMBL13014462 0.81 ADORA3 (0.40) ADORA3ACHECACNA1FCACNA1DCACNA1S

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
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed