SCHEMBL9812322

SCHEMBL9812322

CC(O)OCCN1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MITF O75030 1/20 0.39
▸ CHIT1 Q13231 2/20 0.37
▸ CHIA Q9BZP6 2/20 0.37
▸ ZDHHC9 Q9Y397 1/20 0.36
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL3738377 0.83 TDP1 (0.41) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL5695792 0.82 TDP1 (0.47) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL7950557 0.80 TDP1 (0.41) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL6711052 0.80 TDP1 (0.39) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL5695790 0.79 TDP1 (0.45) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL2116076 0.78 TDP1 (0.44) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL28861068 0.75 SLC6A2 (0.47) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL8698275 0.74 L3MBTL1 (0.39) TDP1L3MBTL1MITFCHIT1CHIA
SCHEMBL5695787 0.74 CHIT1 (0.41) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL3738384 0.73 SLC6A2 (0.38) CHIT1CHIASLC6A2SLC6A4SLC6A3

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-0433766-A1 Compositions of antiallergics and antihistamines and methods for their use ALCON LABORATORIES, INC. (US) 1991-06-26 — — EP disclosed
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