SCHEMBL9303209

SCHEMBL9303209

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
OGA O60502 2/20 0.47
HRH3 Q9Y5N1 3/20 0.47
P2RY12 Q9H244 1/20 0.47
MEN1 O00255 1/20 0.45
USP30 Q70CQ3 3/20 0.43
TSHR P16473 1/20 0.42
CRBN Q96SW2 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9303443 1.00 KMT2A (0.50) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9304710 0.96 KMT2A (0.49) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9302663 0.96 KMT2A (0.49) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9303124 0.95 KMT2A (0.48) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9304551 0.95 KMT2A (0.48) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9303105 0.95 KMT2A (0.48) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9302153 0.95 KMT2A (0.48) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9303322 0.93 KMT2A (0.52) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9303820 0.93 KMT2A (0.52) KMT2ANPC1RAB9AOGAHRH3
SCHEMBL9303977 0.82 HRH3 (0.48) KMT2ANPC1RAB9AOGAHRH3

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