SCHEMBL7052161

SCHEMBL7052161

CCc1cc2c(N3CCN(C(CCC(C)=O)Oc4ccccc4)CC3)ncnc2s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.60
P2RY12 Q9H244 6/20 0.60
HTT P42858 2/20 0.58
TSHR P16473 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
KDM4E B2RXH2 1/20 0.49
LMNA P02545 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
SCHEMBL7048532 0.79 MEN1 (0.67) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5851426 0.78 P2RY12 (0.75) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL7049469 0.78 HTT (0.54) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5850784 0.77 MEN1 (0.62) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5851472 0.77 P2RY12 (0.72) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849174 0.76 P2RY12 (0.70) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL12789922 0.76 P2RY12 (1.00) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL7052594 0.76 MEN1 (0.53) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849516 0.76 P2RY12 (0.69) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849428 0.75 P2RY12 (0.85) MEN1P2RY12HTTTSHRSMN1; 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-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed