SCHEMBL20009416

SCHEMBL20009416

C=CCCN(CC)C(=C)/C=C(\C=C(/C)N(CC)CO)c1cccnc1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.32
HCRTR2 O43614 9/20 0.32
P2RX7 Q99572 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL6644379 0.61 P2RX7 (0.56) HCRTR1HCRTR2P2RX7ATM
SCHEMBL29206844 0.61 P2RX7 (0.43) HCRTR1HCRTR2P2RX7
SCHEMBL30876162 0.61 P2RX7 (0.43) HCRTR1HCRTR2P2RX7
SCHEMBL10240443 0.60 P2RX7 (0.52) P2RX7
SCHEMBL30614424 0.59 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL29079317 0.59 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL20009697 0.58
SCHEMBL7519054 0.57 P2RX7 (0.46) P2RX7
SCHEMBL17210751 0.57 P2RX7 (0.52) P2RX7
SCHEMBL12459518 0.56 P2RX7 (0.45) P2RX7

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed