SCHEMBL5695792

SCHEMBL5695792

OCCN1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MITF O75030 1/20 0.44
▸ CHIT1 Q13231 2/20 0.41
▸ CHIA Q9BZP6 2/20 0.41
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ SCN5A Q14524 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ IDE P14735 1/20 0.36
▸ UBE2N P61088 1/20 0.36

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
SCHEMBL5695790 0.87 TDP1 (0.45) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL2116076 0.85 TDP1 (0.44) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL28861068 0.82 SLC6A2 (0.47) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL9812322 0.82 TDP1 (0.41) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL3738377 0.82 TDP1 (0.41) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL7950557 0.81 TDP1 (0.41) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL7771962 0.79 CA1 (0.39) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL6711052 0.79 TDP1 (0.39) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL7775649 0.78 CA1 (0.38) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL8698275 0.77 L3MBTL1 (0.39) TDP1L3MBTL1MITFCHIT1CHIA

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
EP-1222179-B1 PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES CAMBREX CHARLES CITY INC (US) 2006-06-21 — — EP disclosed
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