SCHEMBL8966947

SCHEMBL8966947

O=C(CCCN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1)c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 2/20 0.69
DRD2 P14416 3/20 0.66
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
MAPK1 P28482 1/20 0.61
SLC6A3 Q01959 1/20 0.57
DRD3 P35462 1/20 0.55

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
SCHEMBL8967710 0.98 KMT2A (0.66) KMT2AALDH1A1LMNADRD2MAPT
SCHEMBL8966877 0.94 DRD2 (0.65) KMT2AALDH1A1LMNADRD2MEN1
SCHEMBL9296977 0.86 KMT2A (0.69) KMT2AALDH1A1LMNADRD2MAPT
SCHEMBL11542164 0.83 DRD2 (0.64) KMT2ADRD2MEN1DRD3
SCHEMBL11744954 0.83 KMT2A (0.81) KMT2AALDH1A1LMNADRD2MAPT
SCHEMBL13562203 0.82 KMT2A (1.00) KMT2AALDH1A1LMNADRD2MAPT
SCHEMBL11740905 0.82 KMT2A (1.00) KMT2AALDH1A1LMNADRD2MAPT
SCHEMBL8966878 0.82 DRD2 (0.62) KMT2AALDH1A1DRD2MEN1SLC6A3
SCHEMBL11866431 0.81 KMT2A (0.78) KMT2AALDH1A1LMNADRD2MAPT
SCHEMBL11824249 0.81 KMT2A (0.78) KMT2AALDH1A1LMNADRD2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512584-A 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0580644-B1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AG (DE) 1995-06-28 EP disclosed
EP-0580644-A1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE. BASF AG (DE) 1994-02-02 EP disclosed
WO-1992018480-A1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed