SCHEMBL10035928

SCHEMBL10035928

CN1CCC(C2CCN(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
ALDH1A1 P00352 5/20 0.69
GFER P55789 4/20 0.69
KDM4E B2RXH2 4/20 0.69
GAA P10253 4/20 0.69
KMT2A Q03164 2/20 0.69
ADRA2C P18825 2/20 0.69
PTK2B Q14289 2/20 0.69
ESR2 Q92731 1/20 0.69
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
RECQL P46063 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL17264101 0.90 MAPT (0.59) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL17264097 0.85 MAPT (0.53) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL8236442 0.82 MAPT (0.55) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL6151538 0.82 MAPT (1.00) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL56547 0.82 MAPT (1.00) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL6414948 0.82 MAPT (1.00) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL156523 0.81 MAPT (0.68) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL156422 0.81 ALDH1A1 (0.68) MAPTALDH1A1GFERKDM4EGAA
Hydrochloric Acid SCHEMBL3271552 0.80 MAPT (0.96) MAPTALDH1A1GFERKDM4EGAA
Hydrochloric Acid SCHEMBL4707631 0.80 MAPT (0.96) MAPTALDH1A1GFERKDM4EGAA

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-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed