SCHEMBL3435893

SCHEMBL3435893

CN(C)C(=O)c1ccc2c(c1)c(CC1COCCN1C(=O)c1cccc3ccccc13)cn2C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C2A O00443 1/20 0.54
PIK3C2B O00750 1/20 0.54
HCRTR1 O43613 17/20 0.41
HCRTR2 O43614 17/20 0.41
CYP3A4 P08684 11/20 0.41

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
SCHEMBL3436414 0.86 PIK3C2A (0.55) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3436521 0.85 PIK3C2A (0.52) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3437152 0.78 PIK3C2A (0.54) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3435977 0.73 PIK3C2A (0.41) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3435971 0.73 PIK3C2A (0.41) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL944759 0.72 PIK3C2A (0.43) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3431129 0.72 PIK3C2A (0.43) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL14802016 0.71 PIK3C2A (0.81) PIK3C2APIK3C2B
SCHEMBL945486 0.71 PIK3C2A (0.81) PIK3C2APIK3C2B
SCHEMBL947933 0.70 PIK3C2A (1.00) PIK3C2APIK3C2B

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-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed