SCHEMBL4649567

SCHEMBL4649567

Clc1ccccc1-c1ccc(CN2CCNCC2Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.50
▸ SLC6A4 P31645 4/20 0.50
▸ SLC6A3 Q01959 4/20 0.50
▸ MITF O75030 1/20 0.47
▸ CNR2 P34972 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA9 Q16790 2/20 0.40

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
SCHEMBL4651286 0.87 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MITFCNR2
SCHEMBL1415727 0.86 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MITFTDP1
SCHEMBL27505917 0.86 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MITFTDP1
SCHEMBL6936570 0.86 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MITFTDP1
SCHEMBL28861068 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MITFTDP1
SCHEMBL27469280 0.79 KMT2A (0.50) SLC6A2SLC6A4SLC6A3MITFTDP1
SCHEMBL7826769 0.79 KMT2A (0.50) SLC6A2SLC6A4SLC6A3MITFTDP1
Pyridine SCHEMBL28173600 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MITFTDP1
SCHEMBL2080509 0.76 SIGMAR1 (0.53) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL1738860 0.76 SIGMAR1 (0.53) SLC6A2SLC6A4SLC6A3MITFCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 — — EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — WO disclosed
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