SCHEMBL11239874

SCHEMBL11239874

O=C(OCC(Cl)(Cl)Cl)N1CC[C@H](Cl)[C@@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL11239890 1.00 GAA (0.33) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL11234753 0.86 CHRM2 (0.31) CHRM2CHRM4CHRM1CHRM3
SCHEMBL11245520 0.76 ALDH1A1 (0.33) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL14243237 0.74 ALDH1A1 (0.49) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL11239169 0.73 SMN1; SMN2 (0.39) GAACHRM4L3MBTL1
SCHEMBL11239164 0.73 SMN1; SMN2 (0.39) GAACHRM4L3MBTL1
SCHEMBL17141113 0.73 ALOX5 (0.39) GAACHRM4CHRM1L3MBTL1THRB
SCHEMBL3020727 0.73 SMN1; SMN2 (0.54) GAACHRM1L3MBTL1
SCHEMBL17150658 0.72 GAA (0.38) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL22875112 0.71 GAA (0.44) GAACHRM2CHRM4CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed