SCHEMBL9141561

SCHEMBL9141561

CCN(CC)C(=O)c1ccc(N2CCC(NC(=O)c3cnc4c(OC)cccc4c3Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 2/20 0.48
▸ MCHR1 Q99705 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ ACHE P22303 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ PRKAA2 P54646 3/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43
▸ PRKAG2 Q9UGJ0 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43

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 0.90 SLC6A12 (0.58) SLC6A12MCHR1KMT2AACHEBCHE
SCHEMBL8524472 0.88 SLC6A12 (0.48) SLC6A12MCHR1KDM4EALDH1A1KMT2A
SCHEMBL9137922 0.87 SLC6A12 (0.48) SLC6A12MCHR1KDM4EALDH1A1KMT2A
SCHEMBL6573538 0.87 SLC6A12 (0.55) SLC6A12MCHR1KDM4EALDH1A1KMT2A
SCHEMBL6570012 0.87 SLC6A12 (0.53) SLC6A12MCHR1KDM4EALDH1A1KMT2A
SCHEMBL9145344 0.87 SLC6A12 (0.53) SLC6A12MCHR1KDM4EALDH1A1KMT2A
SCHEMBL6571119 0.86 SLC6A12 (0.54) SLC6A12MCHR1KDM4EALDH1A1KMT2A
SCHEMBL9140098 0.86 SLC6A12 (0.55) SLC6A12MCHR1KDM4EALDH1A1KMT2A
SCHEMBL9138847 0.85 DRD4 (0.58) SLC6A12MCHR1JAK1JAK3JAK2
SCHEMBL9141810 0.85 DRD4 (0.54) SLC6A12MCHR1KDM4EALDH1A1KMT2A

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