SCHEMBL27767907

SCHEMBL27767907

ClC1CCCC(Cc2ccccc2)(Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
OPRL1 P41146 5/20 0.38
OPRM1 P35372 3/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GAA P10253 1/20 0.35
NPFFR1 Q9GZQ6 2/20 0.35
NPFFR2 Q9Y5X5 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL31672689 0.81 L3MBTL1 (0.46) MAOAMAOBALDH1A1POLBUSP2
SCHEMBL7532162 0.79 ALDH1A1 (0.41) MAOAMAOBOPRL1OPRM1ALDH1A1
SCHEMBL28015460 0.79 MAOA (0.44) MAOAMAOBOPRL1OPRM1ALDH1A1
SCHEMBL8347115 0.79 MAOA (0.54) MAOAMAOBOPRL1OPRM1ALDH1A1
SCHEMBL156160 0.79 MAOA (0.54) MAOAMAOBOPRL1OPRM1ALDH1A1
SCHEMBL7695086 0.79 DPP4 (0.39) MAOAMAOBOPRL1OPRM1GAA
SCHEMBL28001926 0.78 MAOA (0.39) MAOAMAOBOPRL1OPRM1ALDH1A1
SCHEMBL28001928 0.78 MAOA (0.39) MAOAMAOBOPRL1OPRM1ALDH1A1
SCHEMBL4581280 0.77 MAOA (0.52) MAOAMAOBOPRL1OPRM1ALDH1A1
SCHEMBL1588016 0.77 MAOA (0.52) MAOAMAOBOPRL1OPRM1ALDH1A1

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
CN-101560167-A Alpha-n-methylation of amino acids HOFFMANN LA ROCHE (CH) 2009-10-21 CN claimed
CN-101560167-A Alpha-n-methylation of amino acids HOFFMANN LA ROCHE (CH) 2009-10-21 CN disclosed