SCHEMBL8233198

SCHEMBL8233198

O=C(Nc1cccc(Br)c1)OC1CN2CCCCCC12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GRK2 P25098 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRNA7 P36544 4/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 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
SCHEMBL7365487 0.79 MAPT (0.74) MAPTALDH1A1CHRNA7BCHEACHE
SCHEMBL13595969 0.77 SMN1; SMN2 (0.50) TP53SMN1; SMN2MAPTTHRBLMNA
SCHEMBL6560372 0.70 GRK2 (0.48) SMN1; SMN2MAPTTHRBALDH1A1GRK2
SCHEMBL4417239 0.70 CHRM3 (0.54) CHRNA7
Trapencaine SCHEMBL31345279 0.70 FAAH (0.49) THRBALDH1A1POLBFAAHACHE
SCHEMBL2151177 0.69 GRK2 (0.68) SMN1; SMN2LMNAALDH1A1GRK2CASP6
SCHEMBL28263497 0.68 GAA (0.53) SMN1; SMN2MAPTLMNAALDH1A1GRK2
SCHEMBL12745630 0.67 EPHX2 (0.49) SMN1; SMN2MAPTLMNAALDH1A1GRK2
SCHEMBL515154 0.67 GAA (0.62) SMN1; SMN2MAPTLMNAALDH1A1POLB
SCHEMBL17098885 0.66 GRK2 (0.44) TP53SMN1; SMN2MAPTALDH1A1GRK2

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-2007100430-A2 CYTISINE AND ACETYLCHOLINE ANALOGS AND METHODS OF TREATING MOOD DISORDERS YALE UNIVERSITY (US) 2007-09-07 WO disclosed