SCHEMBL7049469

SCHEMBL7049469

CCc1cc2c(N3CCN(C(CCC(C)=O)c4c[nH]c5ccccc45)CC3)ncnc2s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 11/20 0.54
P2RY12 Q9H244 6/20 0.54
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 2/20 0.49
HRH4 Q9H3N8 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5849417 0.78 MEN1 (0.71) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7052161 0.78 MEN1 (0.60) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL5850784 0.77 MEN1 (0.62) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL5849707 0.76 MEN1 (0.57) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL5849317 0.75 P2RY12 (0.61) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL5849714 0.75 MEN1 (0.61) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL5848977 0.75 P2RY12 (0.60) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7048532 0.74 MEN1 (0.67) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL5851416 0.74 MEN1 (0.64) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7054080 0.72 HRH4 (0.66) HTTTSHRSMN1; SMN2TP53MAPT

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