SCHEMBL9140774

SCHEMBL9140774

COc1cccc2c(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c(C(=O)NC3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SSTR5 P35346 1/20 0.53
▸ SLC6A12 P48065 2/20 0.53
▸ MCHR1 Q99705 3/20 0.52
▸ SLC6A5 Q9Y345 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PRKAA2 P54646 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ BCHE P06276 1/20 0.48
▸ DRD3 P35462 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL9140781 0.95 SLC6A12 (0.58) KMT2AMEN1SLC6A12MCHR1PRKAA2
SCHEMBL6573538 0.92 SLC6A12 (0.55) KMT2AMEN1SLC6A12MCHR1KDM4E
SCHEMBL6571119 0.91 SLC6A12 (0.54) KMT2AMEN1SLC6A12MCHR1KDM4E
SCHEMBL9140098 0.91 SLC6A12 (0.55) KMT2AMEN1SLC6A12MCHR1KDM4E
SCHEMBL6570012 0.90 SLC6A12 (0.53) KMT2AMEN1SLC6A12MCHR1KDM4E
SCHEMBL9145344 0.90 SLC6A12 (0.53) KMT2AMEN1SLC6A12MCHR1KDM4E
SCHEMBL9138847 0.90 DRD4 (0.58) SLC6A12MCHR1PRKAA2ACHEBCHE
SCHEMBL9141810 0.90 DRD4 (0.54) KMT2ASLC6A12MCHR1KDM4EALDH1A1
SCHEMBL9242796 0.87 SLC6A12 (0.56) KMT2AMEN1SLC6A12MCHR1PRKAA2
SCHEMBL9137922 0.85 SLC6A12 (0.48) KMT2ASSTR5SLC6A12MCHR1KDM4E

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-5438064-A For suppressing the binding of bradykinins to pain receptors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-01 — — US disclosed
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