SCHEMBL3784334

SCHEMBL3784334

O=C(OC1CCNCC1)C(Nc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.45
LMNA P02545 4/20 0.43
THRB P10828 3/20 0.43
BLM P54132 3/20 0.43
PMP22 Q01453 3/20 0.43
CYP2D6 P10635 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MTOR P42345 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
ANPEP P15144 2/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL3842006 1.00 CHRM3 (0.45) CHRM3LMNATHRBBLMPMP22
SCHEMBL2519762 0.85 MMP2 (0.41) CHRM3LMNABLMCYP2D6CHRM2
SCHEMBL2512019 0.82 CHRM3 (0.54) CHRM3LMNATHRBBLMPMP22
SCHEMBL2482977 0.82 CHRM3 (0.54) CHRM3LMNATHRBBLMPMP22
SCHEMBL2990935 0.82 CHRM3 (0.67) CHRM3LMNATHRBBLMPMP22
SCHEMBL9667211 0.80 CHRM3 (0.64) CHRM3LMNATHRBBLMPMP22
SCHEMBL15000746 0.79 MMP2 (0.47) CHRM3LMNATHRBBLMPMP22
SCHEMBL17294713 0.79 LMNA (0.59) CHRM3LMNATHRBBLMPMP22
SCHEMBL17294710 0.79 LMNA (0.59) CHRM3LMNATHRBBLMPMP22
SCHEMBL2482540 0.78 LMNA (0.67) CHRM3LMNABLMPMP22CYP2D6

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
EP-2206712-A1 \"Alkaloid aminoester derivatives and medicinal composition thereof\ CHIESI FARMACEUTICI S.p.A. (IT) 2010-07-14 EP disclosed