SCHEMBL13636347

SCHEMBL13636347

CCCN1CCN(C(=O)/C=C/c2ccc(NO)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 8/20 0.64
GAA P10253 1/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL14190905 0.86 GPR183 (0.67) GPR183GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL4380512 0.86 GPR183 (0.67) GPR183GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL13636191 0.85 ALDH1A1 (0.68) GPR183GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL4377314 0.85 GPR183 (0.85) GPR183
SCHEMBL4384170 0.85 ALDH1A1 (0.68) GPR183GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL13636478 0.85 GPR183 (0.85) GPR183
SCHEMBL14190910 0.83 ALDH1A1 (0.67) GPR183GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL4375408 0.83 ALDH1A1 (0.67) GPR183GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL14190907 0.83 GPR183 (0.62) GPR183GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL4383718 0.83 GPR183 (0.62) GPR183GAAALDH1A1SMN1; SMN2MEN1

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed