SCHEMBL9302681

SCHEMBL9302681

CCOC(=O)[C@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@@H](C)C(=O)OCC)cn3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.56
P2RY12 Q9H244 1/20 0.55
OGA O60502 2/20 0.55
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP30 Q70CQ3 2/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CRBN Q96SW2 2/20 0.42

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
SCHEMBL9301934 0.90 HRH3 (0.49) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9305371 0.90 HRH3 (0.49) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9303977 0.88 HRH3 (0.48) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9304217 0.88 HRH3 (0.48) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9303366 0.87 KMT2A (0.60) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9304053 0.87 KMT2A (0.60) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9305171 0.86 KMT2A (0.48) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9303849 0.85 KMT2A (0.49) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9303243 0.85 KMT2A (0.49) HRH3P2RY12OGAKMT2ANPC1
SCHEMBL9303890 0.84 KMT2A (0.47) HRH3P2RY12OGAKMT2ANPC1

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
US-5356559-A Optically active piperazinyl derivatives as liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-10-18 US disclosed