SCHEMBL9710832

SCHEMBL9710832

O=C(c1ccccc1)[C@H]1CN(CCc2ccccc2)CC[C@]1(O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.78
ALDH1A1 P00352 4/20 0.78
LMNA P02545 3/20 0.78
MAPT P10636 3/20 0.78
MEN1 O00255 2/20 0.78
MAPK1 P28482 1/20 0.78
OPRM1 P35372 8/20 0.55
ARRB1 P49407 2/20 0.55
HTR2A P28223 1/20 0.53
OPRD1 P41143 4/20 0.52
OPRK1 P41145 4/20 0.52
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.46

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
SCHEMBL11743879 1.00 KMT2A (0.78) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7002758 0.90 KMT2A (0.64) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL8967059 0.88 ALDH1A1 (1.00) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL8967060 0.88 ALDH1A1 (1.00) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL8967064 0.88 ALDH1A1 (1.00) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11745258 0.88 KMT2A (0.77) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11862748 0.87 KMT2A (0.75) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11744954 0.86 KMT2A (0.81) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL9296977 0.85 KMT2A (0.69) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL13562203 0.85 KMT2A (1.00) 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