SCHEMBL7854690

SCHEMBL7854690

CCCN(CCC)[C@@H]1Cc2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 2/20 0.48
DRD3 P35462 6/20 0.46
DRD2 P14416 5/20 0.46
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7864514 0.86 KMT2A (0.44) KMT2AALDH1A1DRD3DRD2
SCHEMBL7861294 0.85 DRD3 (0.60) DRD3DRD2
SCHEMBL7854688 0.85 TBXA2R (0.54) ALDH1A1DRD3DRD2
SCHEMBL7864498 0.84 DRD3 (0.51) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL7860206 0.83 CYP19A1 (0.54) DRD3DRD2
SCHEMBL7861602 0.82 CYP19A1 (0.53) DRD3DRD2
SCHEMBL7861583 0.82 CYP19A1 (0.54) DRD3DRD2
SCHEMBL7854713 0.79 DRD3 (0.51) ALDH1A1DRD3DRD2
SCHEMBL7457371 0.77 DRD3 (0.61) LMNAMAPTMEN1KMT2ADRD3
SCHEMBL7457363 0.77 DRD3 (0.61) LMNAMAPTMEN1KMT2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807101-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 2001-06-13 EP disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 WO disclosed