SCHEMBL7051646

SCHEMBL7051646

CCc1cc2c(N3CCN(C(C=O)c4ccncc4)CC3)ncnc2s1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.58
MEN1 O00255 12/20 0.58
KMT2A Q03164 7/20 0.58
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
P2RY12 Q9H244 5/20 0.54
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52

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 0.91 HTT (0.67) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7047529 0.89 HRH4 (0.57) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7052745 0.85 MEN1 (0.66) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7053533 0.83 HTT (0.56) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7051744 0.81 HTT (0.53) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL5849070 0.78 MEN1 (0.86) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7046754 0.78 ALDH1A1 (0.48) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL7054382 0.77 SMN1; SMN2 (0.51) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7048493 0.77 SMN1; SMN2 (0.51) HRH4MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7047651 0.77 HTT (0.45) HRH4MEN1KMT2AHTTSMN1; 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