SCHEMBL9301934

SCHEMBL9301934

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
OGA O60502 3/20 0.48
P2RY12 Q9H244 1/20 0.48
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CRBN Q96SW2 2/20 0.41
AOC3 Q16853 1/20 0.39

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
SCHEMBL9305371 1.00 HRH3 (0.49) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303977 0.93 HRH3 (0.48) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9304217 0.93 HRH3 (0.48) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9302681 0.90 HRH3 (0.56) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9304053 0.85 KMT2A (0.60) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303366 0.85 KMT2A (0.60) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9304119 0.85 KMT2A (0.47) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303890 0.85 KMT2A (0.47) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9305171 0.84 KMT2A (0.48) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303243 0.83 KMT2A (0.49) HRH3KMT2ANPC1RAB9AOGA

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