SCHEMBL23280464

SCHEMBL23280464

CN1CCC(Oc2cc(Cl)ncn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.39
SRC P12931 3/20 0.39
ERBB2 P04626 1/20 0.39
TDO2 P48775 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ACACB O00763 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL38661308 0.85 S1PR1 (0.43) EGFRACACBS1PR1
SCHEMBL557714 0.82 S1PR1 (0.50) ACACBS1PR1
SCHEMBL5410860 0.81 S1PR1 (0.39) ACACBS1PR1
SCHEMBL5415896 0.81 S1PR1 (0.39) ACACBS1PR1
SCHEMBL5410863 0.81 S1PR1 (0.39) ACACBS1PR1
SCHEMBL289843 0.81 EGFR (0.41) EGFRS1PR1
SCHEMBL17559337 0.80 GPR119 (0.49) EGFRS1PR1
SCHEMBL5399844 0.80 S1PR1 (0.52) ACACBS1PR1
SCHEMBL5405665 0.80 S1PR1 (0.52) ACACBS1PR1
SCHEMBL19473361 0.79 S1PR1 (0.34) EGFRACACBS1PR1

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-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed