SCHEMBL17502575

SCHEMBL17502575

Cc1cc(F)cc(C)c1N1[C]N(c2c(C)cc(F)cc2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.33

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
SCHEMBL283987 0.82 ALDH1A1 (0.38)
SCHEMBL17502571 0.78 L3MBTL1 (0.32)
SCHEMBL17502583 0.78 RAPGEF4 (0.31)
SCHEMBL6099464 0.74 POLB (0.40)
SCHEMBL16078015 0.71 ALDH1A1 (0.37) P2RX7
SCHEMBL18122718 0.67 HTT (0.45) P2RX7
SCHEMBL22430556 0.63 HSD17B10 (0.50) P2RX7
SCHEMBL16482032 0.62 HCRTR1 (0.32) P2RX7
SCHEMBL22430483 0.62 HSD17B10 (0.45) P2RX7
SCHEMBL13550041 0.61 RAPGEF4 (0.37)

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-2016022965-A1 PERSISTENT CARBENE ADDUCTS AND RELATED METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-02-11 WO disclosed