SCHEMBL20907482

SCHEMBL20907482

CCOc1ccc(N2CCNCC(C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
BACE1 P56817 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 3/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APP P05067 1/20 0.44

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
SCHEMBL2155052 0.82 ADRB1 (0.66) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL5274705 0.81 MAPT (0.49) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL2246615 0.81 MAPT (0.49) MAPTALDH1A1NPC1TP53RAB9A
Hydrochloric Acid SCHEMBL27331131 0.81 ADRB1 (0.64) MAPTALDH1A1NPC1TP53RAB9A
Hydrochloric Acid SCHEMBL4324884 0.81 ADRB1 (0.64) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL4721119 0.79 ADRB1 (0.53) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL20907490 0.77 MEN1 (0.50) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL5238114 0.77 ADRB1 (0.58) MAPTALDH1A1NPC1TP53RAB9A
Hydrochloric Acid SCHEMBL2155829 0.75 ADRB1 (0.57) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL23732273 0.75 CHRNB2 (0.66) MAPTALDH1A1NPC1TP53RAB9A

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-2019073251-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-04-18 WO disclosed