SCHEMBL9140781

SCHEMBL9140781

COc1cccc2c(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c(C(=O)NC3CCN(Cc4ccccc4)CC3)cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 2/20 0.58
▸ MCHR1 Q99705 3/20 0.57
▸ PRKAA2 P54646 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ PRKAB2 O43741 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PRKAG3 Q9UGI9 1/20 0.52
▸ PRKAG2 Q9UGJ0 1/20 0.52
▸ PRKAB1 Q9Y478 1/20 0.52
▸ ACHE P22303 2/20 0.52
▸ BCHE P06276 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL6573538 0.97 SLC6A12 (0.55) SLC6A12MCHR1PRKAA2SIGMAR1TMEM97
SCHEMBL6571119 0.96 SLC6A12 (0.54) SLC6A12MCHR1PRKAA2SIGMAR1TMEM97
SCHEMBL9140098 0.96 SLC6A12 (0.55) SLC6A12MCHR1PRKAA2SIGMAR1TMEM97
SCHEMBL9138847 0.95 DRD4 (0.58) SLC6A12MCHR1PRKAA2SIGMAR1ACHE
SCHEMBL9140774 0.95 KMT2A (0.59) SLC6A12MCHR1PRKAA2SIGMAR1TMEM97
SCHEMBL6570012 0.95 SLC6A12 (0.53) SLC6A12MCHR1PRKAA2SIGMAR1TMEM97
SCHEMBL9145344 0.95 SLC6A12 (0.53) SLC6A12MCHR1PRKAA2SIGMAR1TMEM97
SCHEMBL9141810 0.95 DRD4 (0.54) SLC6A12MCHR1PRKAA2SIGMAR1ACHE
SCHEMBL9242796 0.92 SLC6A12 (0.56) SLC6A12MCHR1PRKAA2SIGMAR1ACHE
SCHEMBL9141561 0.90 SLC6A12 (0.48) SLC6A12MCHR1PRKAA2SIGMAR1TMEM97

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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