SCHEMBL10898379

SCHEMBL10898379

CCOC(=O)Cc1ccc(CCN2CCN(C(=O)C=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
ACHE P22303 5/20 0.42
GPR183 P32249 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 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
SCHEMBL10898376 1.00 MAOA (0.42) MAOAMAOBACHEGPR183KDM4E
SCHEMBL10901691 0.90 KCNJ1 (0.50) MAOAMAOBACHEGPR183KDM4E
SCHEMBL10901688 0.90 KCNJ1 (0.50) MAOAMAOBACHEGPR183KDM4E
SCHEMBL10900963 0.89 MAOA (0.45) MAOAMAOBACHEGPR183
SCHEMBL10900958 0.89 MAOA (0.45) MAOAMAOBACHEGPR183
SCHEMBL10900320 0.86 GAA (0.49) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL10898730 0.85 EBP (0.46) MAOAMAOBACHEGPR183ALDH1A1
SCHEMBL10898734 0.85 EBP (0.46) MAOAMAOBACHEGPR183ALDH1A1
SCHEMBL10901877 0.82 GPR183 (0.56) GPR183GAAHTT
SCHEMBL10901880 0.82 GPR183 (0.56) GPR183GAAHTT

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
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed