SCHEMBL8019595

SCHEMBL8019595

[CH2]c1ccc(N(CCCCCCC)CCCCCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.41
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
DNM1 Q05193 3/20 0.38
INSR P06213 1/20 0.36

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
SCHEMBL28128909 1.00 CNR2 (0.41) CNR2EGFRERBB2DNM1INSR
SCHEMBL2059148 0.98 EGFR (0.39) CNR2EGFRERBB2INSR
SCHEMBL2059149 0.96 EGFR (0.41) CNR2EGFRERBB2INSR
SCHEMBL220428 0.92 EGFR (0.44) CNR2EGFRERBB2INSR
SCHEMBL1815516 0.89 CNR2 (0.46) CNR2EGFRERBB2DNM1
SCHEMBL12677177 0.89 CNR2 (0.46) CNR2EGFRERBB2DNM1
SCHEMBL1459455 0.87 EGFR (0.44) CNR2EGFRERBB2DNM1
SCHEMBL12304298 0.85 CNR2 (0.44) CNR2EGFRERBB2DNM1INSR
SCHEMBL12304303 0.85 CNR2 (0.44) CNR2EGFRERBB2DNM1INSR
SCHEMBL12304296 0.85 CNR2 (0.44) CNR2EGFRERBB2DNM1INSR

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-2000071118-A1 PHOSPHOLIPASE A2-SPECIFIC INHIBITING COMPOUNDS UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2000-11-30 WO disclosed