SCHEMBL30323432

SCHEMBL30323432

COc1ccc(CN2CCC(CNC(=O)OC(C)(C)C)(C(=O)NNC(=O)c3ccccc3Nc3ccc(C(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ CACNA1G O43497 2/20 0.39
▸ PRKAB2 O43741 6/20 0.38
▸ PRKAG1 P54619 6/20 0.38
▸ PRKAA2 P54646 6/20 0.38
▸ PRKAA1 Q13131 6/20 0.38
▸ PRKAG3 Q9UGI9 6/20 0.38
▸ PRKAG2 Q9UGJ0 6/20 0.38
▸ PRKAB1 Q9Y478 6/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ SMO Q99835 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ OPRL1 P41146 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
SCHEMBL30323388 0.77 ABCG2 (0.42) KCNH2CACNA1GPRKAB2PRKAG1PRKAA2
SCHEMBL30323365 0.76 OPRM1 (0.42) KCNH2CACNA1GALDH1A1OPRL1
SCHEMBL30323348 0.75 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30323332 0.74 KMT2A (0.43) KCNH2ALDH1A1OPRL1
SCHEMBL22571348 0.73 RXFP1 (0.48) RXFP1ABCG2
SCHEMBL22571395 0.72 RXFP1 (0.51) RXFP1ABCG2
SCHEMBL30463793 0.72 RXFP1 (0.51) RXFP1ABCG2
SCHEMBL22571459 0.71 RXFP1 (0.45) RXFP1ABCG2
SCHEMBL30323373 0.71 PRKAB2 (0.39) KCNH2CACNA1GPRKAB2PRKAG1PRKAA2
SCHEMBL22571357 0.70 RXFP1 (0.49) RXFP1ABCG2

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
WO-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 — — WO disclosed
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