SCHEMBL7053533

SCHEMBL7053533

CCCc1cc2c(N3CCN(C(C=O)c4ccccc4)CC3)ncnc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 12/20 0.53
P2RY12 Q9H244 5/20 0.53
KMT2A Q03164 9/20 0.52
HRH4 Q9H3N8 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7048623 0.92 HTT (0.67) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7051744 0.88 HTT (0.53) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7046754 0.85 ALDH1A1 (0.48) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7051646 0.83 HRH4 (0.58) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7047529 0.83 HRH4 (0.57) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7055758 0.81 TP53 (0.45) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7048598 0.81 KMT2A (0.44) HTTTSHRSMN1; SMN2MAPTNPSR1
SCHEMBL7052745 0.80 MEN1 (0.66) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7050933 0.80 KDM4E (0.43) HTTTSHRSMN1; SMN2TP53MAPT
SCHEMBL7054382 0.79 SMN1; SMN2 (0.51) 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