SCHEMBL9052573

SCHEMBL9052573

CCCC(=O)c1ccc(N2CCC(N)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HTR1A P08908 3/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9052425 0.87 HPGD (0.47) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9052117 0.83 HPGD (0.48) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL8986025 0.79 DRD2 (0.56) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9052143 0.78 OPRM1 (0.48) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9052113 0.77 HPGD (0.47) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9051740 0.77 HPGD (0.47) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9053033 0.77 OPRM1 (0.46) SMN1; SMN2L3MBTL1MAPT
SCHEMBL9052177 0.76 SLC18A3 (0.49) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9052441 0.76 CA12 (0.44) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9050709 0.76

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