SCHEMBL7861344

SCHEMBL7861344

Brc1ccc(SCc2ccc3c(c2)CCC3)cc1.CCCNCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAOB P27338 3/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAOA P21397 1/20 0.35
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7854686 0.79 HSD17B3 (0.40) NPC1RAB9AALDH1A1KMT2AHSP90AA1
SCHEMBL7854631 0.76 MLNR (0.52) DRD2DRD3ALDH1A1CYP2D6L3MBTL1
SCHEMBL7862464 0.74 TPSAB1 (0.47) NPC1RAB9AALDH1A1KMT2AGAA
SCHEMBL7861299 0.74 NPC1 (0.44) NPC1RAB9AALDH1A1KMT2ACYP1A2
SCHEMBL7862501 0.74 NPC1 (0.41) NPC1RAB9AALDH1A1KMT2ACYP1A2
SCHEMBL8810983 0.71 MIF (0.55) DRD2DRD3NPC1RAB9AALDH1A1
SCHEMBL7861341 0.69 DRD3 (0.63) DRD2DRD3ALDH1A1CYP2D6CYP2C9
SCHEMBL7854715 0.68 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KMT2AHSP90AA1
SCHEMBL9435214 0.68 DRD2 (0.54) DRD2DRD3KMT2ACYP2D6MAPT
SCHEMBL20502869 0.68 MAOA (0.50) MAOBNPC1RAB9AALDH1A1MAOA

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
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
EP-0807101-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-11-19 EP disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 WO disclosed