SCHEMBL2490313

SCHEMBL2490313

CC(C)N1CCCC(Cc2ccccn2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
MAP4K4 O95819 1/20 0.42
KCNH2 Q12809 2/20 0.41
CXCR4 P61073 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
CYP2D6 P10635 1/20 0.39
GHSR Q92847 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL19016231 0.92 MAP4K4 (0.46) HRH3MAP4K4KCNH2KDM4ESMN1; SMN2
SCHEMBL14507938 0.83 HRH3 (0.49) HRH3MAP4K4KCNH2KDM4ESMN1; SMN2
SCHEMBL19008170 0.83 MAP4K4 (0.44) MAP4K4KCNH2CXCR4CYP2D6GHSR
SCHEMBL12090380 0.83 KCNH2 (0.53) HRH3MAP4K4KCNH2KDM4ESMN1; SMN2
SCHEMBL3985142 0.80 HRH3 (0.46) HRH3MAP4K4KCNH2KDM4ESMN1; SMN2
SCHEMBL2603281 0.79 CARM1 (0.55) HRH3KCNH2CYP2D6CYP3A4LMNA
SCHEMBL12090211 0.77 MAP4K4 (0.49) HRH3MAP4K4KCNH2KDM4ESMN1; SMN2
SCHEMBL21078309 0.76 KDM4E (0.49) HRH3MAP4K4KCNH2KDM4ESMN1; SMN2
SCHEMBL1515203 0.76 HPGD (0.49) HRH3KDM4ESMN1; SMN2
SCHEMBL13995043 0.75 HRH3 (0.50) HRH3KCNH2KDM4ESMN1; SMN2

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-2011117254-A1 PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR PROSIDION LIMITED (GB) 2011-09-29 WO disclosed