SCHEMBL7862464

SCHEMBL7862464

CCCNCCC.NCc1ccc2c(c1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.47
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
SMAD3 P84022 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADRA2A P08913 1/20 0.40
NAMPT P43490 1/20 0.39
RAD52 P43351 1/20 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
SCHEMBL7410245 0.84 KMT2A (0.50) TPSAB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL29673223 0.84 KMT2A (0.50) TPSAB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL7862501 0.84 NPC1 (0.41) TPSAB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL7861299 0.84 NPC1 (0.44) ALDH1A1MAPTKMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL5957935 0.82 KMT2A (0.53) TPSAB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL5504129 0.82 KMT2A (0.47) TPSAB1ALDH1A1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL5957846 0.80 KMT2A (0.50) TPSAB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL5957796 0.80 KMT2A (0.46) TPSAB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL7861297 0.80 EGFR (0.43) TPSAB1ALDH1A1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL6259121 0.79 KMT2A (0.48) TPSAB1ALDH1A1MAPTKMT2ALMNA

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