SCHEMBL20113971

SCHEMBL20113971

CCC(O)c1ccc(C=O)nc1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
PDE2A O00408 1/20 0.34
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2255158 0.71 NNMT (0.44) PDE2A
SCHEMBL29935362 0.69 CCR1 (0.46) CCR1ALDH1A1
SCHEMBL6629423 0.68 CCR1 (0.50) CCR1ALDH1A1
SCHEMBL20113756 0.67 CCR1 (0.41) CCR1ALDH1A1
SCHEMBL29956915 0.66 CCR1 (0.43) CCR1ALDH1A1
SCHEMBL13723445 0.65 CCR1 (0.46) CCR1ALDH1A1
SCHEMBL21817861 0.65 CCR1 (0.46) CCR1ALDH1A1
SCHEMBL29951560 0.65 CCR1 (0.46) CCR1ALDH1A1
SCHEMBL29954702 0.65 CCR1 (0.46) CCR1ALDH1A1
SCHEMBL25851278 0.65 CCR1 (0.46) CCR1ALDH1A1

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-3060563-B1 RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2018-05-02 EP disclosed