SCHEMBL9710676

SCHEMBL9710676

O=C(CN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.74
ALDH1A1 P00352 5/20 0.74
LMNA P02545 3/20 0.74
MAPT P10636 3/20 0.74
MEN1 O00255 1/20 0.74
MAPK1 P28482 1/20 0.74
SLC6A3 Q01959 1/20 0.47
GRIN2B Q13224 5/20 0.46
DRD2 P14416 1/20 0.46
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 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
SCHEMBL11746033 0.86 KMT2A (0.78) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL8967060 0.85 ALDH1A1 (1.00) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL8967059 0.85 ALDH1A1 (1.00) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL8967064 0.85 ALDH1A1 (1.00) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11745258 0.85 KMT2A (0.77) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11862748 0.84 KMT2A (0.75) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL9715076 0.83 KMT2A (0.71) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11744954 0.83 KMT2A (0.81) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL9710832 0.83 KMT2A (0.78) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11884628 0.83 KMT2A (0.71) KMT2AALDH1A1LMNAMAPTMEN1

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-1992018480-A1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed