SCHEMBL7050148

SCHEMBL7050148

CCc1cc2c(N3CCN(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)CC3)ncnc2s1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.68
MEN1 O00255 8/20 0.66
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 1/20 0.54
HRH4 Q9H3N8 1/20 0.53
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL5849178 0.86 MEN1 (0.68) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849200 0.81 P2RY12 (1.00) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5848818 0.81 MEN1 (0.69) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5850858 0.80 P2RY12 (0.82) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849409 0.79 P2RY12 (0.74) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849263 0.79 MEN1 (0.74) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL7060963 0.79 MEN1 (0.78) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5851786 0.79 P2RY12 (0.76) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849393 0.78 P2RY12 (0.89) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL5849508 0.78 P2RY12 (1.00) P2RY12MEN1KMT2AALDH1A1HTT

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