SCHEMBL4375408

SCHEMBL4375408

CCCN1CCN(C(=O)C=Cc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPT P10636 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
GPR183 P32249 6/20 0.66
HPGD P15428 2/20 0.64
GAA P10253 2/20 0.63
LMNA P02545 1/20 0.63
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL14190910 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4380512 0.85 GPR183 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14190905 0.85 GPR183 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4377314 0.84 GPR183 (0.85) GPR183
SCHEMBL4384170 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AGPR183
SCHEMBL13636478 0.84 GPR183 (0.85) GPR183
SCHEMBL13636191 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AGPR183
SCHEMBL13636347 0.83 GPR183 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14190907 0.82 GPR183 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4383718 0.82 GPR183 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed