SCHEMBL11382811

SCHEMBL11382811

COc1cccc(C(c2ccc(C)cc2)N2CCC(/N=C\c3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMAD3 P84022 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ P4HB P07237 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ HTT P42858 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
SCHEMBL11382816 1.00 MAPT (0.49) MAPTMAPK1SMAD3GAAKDM4E
SCHEMBL11380661 0.94 MAPT (0.57) MAPTMAPK1SMAD3GAAKDM4E
SCHEMBL11380640 0.94 MAPT (0.57) MAPTMAPK1SMAD3GAAKDM4E
SCHEMBL11371156 0.86 BACE1 (0.46) MAPTGAAMGLL
SCHEMBL11371141 0.86 BACE1 (0.46) MAPTGAAMGLL
SCHEMBL11373141 0.85 MAPT (0.60) MAPTMAPK1P4HBLMNAALDH1A1
SCHEMBL11373142 0.85 MAPT (0.60) MAPTMAPK1P4HBLMNAALDH1A1
SCHEMBL11372850 0.82 MAPT (0.69) MAPTMAPK1GAAKDM4EP4HB
SCHEMBL11372847 0.82 MAPT (0.69) MAPTMAPK1GAAKDM4EP4HB
SCHEMBL11372326 0.82 MAPT (0.49) MAPTMAPK1LMNAALDH1A1HPGD

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
US-4267318-A 1-(Diarylmethyl)-4-piperidinamine and derivatives thereof G. D. SEARLE & CO. (US) 1981-05-12 — — US disclosed
Send feedback