SCHEMBL10665166

SCHEMBL10665166

CSc1ccccc1CCC[S]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.33
APOBEC3G Q9HC16 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
CHRM4 P08173 1/20 0.31
HTR7 P34969 1/20 0.31
P2RX7 Q99572 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5180728 0.88 CHRM2 (0.46) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL6602164 0.80 CHRM2 (0.47) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL6766462 0.80 CHRM2 (0.47) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL5179196 0.79 CHRM2 (0.48) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL7472978 0.78 CHRM2 (0.46) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL7463239 0.77 CHRM2 (0.49) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL8696780 0.76 CHRM2 (0.47) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL7258636 0.75 CHRM2 (0.46) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL1570054 0.75 TAAR1 (0.54) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL9763265 0.75 CHRM2 (0.46) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 EP disclosed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed