SCHEMBL8306315

SCHEMBL8306315

CC(C)Oc1cccc(NCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1B P28222 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL1471442 0.88 HTR1A (0.52) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1471320 0.86 KMT2A (0.57) KMT2AMEN1HTTGAAHTR1A
SCHEMBL8307159 0.85 MEN1 (0.52) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1471024 0.84 HTR1A (0.53) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1470908 0.84 HTR1A (0.42) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1470736 0.81 NPC1 (0.41) KMT2AMEN1HTTHTR1ADRD2
SCHEMBL1471026 0.81 HTR1A (0.53) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1471446 0.80 HDAC1 (0.41) KMT2AMEN1HTTHTR1ADRD2
SCHEMBL1471053 0.79 KMT2A (0.60) KMT2AMEN1HTTGAAHTR1A
SCHEMBL1470751 0.78 SMN1; SMN2 (0.42) KMT2AMEN1HTTGAAHTR1A

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-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed