SCHEMBL9303977

SCHEMBL9303977

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
OGA O60502 2/20 0.47
P2RY12 Q9H244 1/20 0.47
MEN1 O00255 1/20 0.45
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
GPR119 Q8TDV5 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9304217 1.00 HRH3 (0.48) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9301934 0.93 HRH3 (0.49) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9305371 0.93 HRH3 (0.49) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9302681 0.88 HRH3 (0.56) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303366 0.83 KMT2A (0.60) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9304053 0.83 KMT2A (0.60) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9304119 0.83 KMT2A (0.47) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303890 0.83 KMT2A (0.47) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303443 0.82 KMT2A (0.50) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL9303209 0.82 KMT2A (0.50) 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