SCHEMBL9051252

SCHEMBL9051252

CCCC(=O)c1ccc(N2CCC(O)(c3ccccc3Br)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 3/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HTR1A P08908 3/20 0.39

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
SCHEMBL9055896 0.87 OPRM1 (0.44) HDAC1HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL9055176 0.87 DRD2 (0.43) HDAC1HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL9052627 0.86 DRD2 (0.57) HDAC1HDAC8SMN1; SMN2DRD2HPGD
SCHEMBL9051793 0.86 DRD2 (0.47) HDAC1HDAC8SMN1; SMN2MAPTMEN1
SCHEMBL9055744 0.84 HPGD (0.49) HDAC1HDAC8SMN1; SMN2MAPTALDH1A1
SCHEMBL9053002 0.84 OPRM1 (0.47) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL9052131 0.83 DRD2 (0.42) HDAC1HDAC8SMN1; SMN2MAPTMEN1
SCHEMBL8986025 0.83 DRD2 (0.56) HDAC1HDAC8SMN1; SMN2DRD2HPGD
SCHEMBL9052477 0.82 HTR1A (0.45) HDAC1HDAC8SMN1; SMN2MAPTMEN1
SCHEMBL9053113 0.81 DRD2 (0.56) SMN1; SMN2MAPTALDH1A1HTTDRD2

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-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed