SCHEMBL21985454

SCHEMBL21985454

Cc1cnc(C)c(OC[C@@H]2CCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
FEN1 P39748 1/20 0.40
F2RL3 Q96RI0 4/20 0.39
GPR119 Q8TDV5 7/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL3361927 0.89 ALOX5AP (0.39) ALOX5APFEN1F2RL3GPR119KDM4E
SCHEMBL14941693 0.89 ALOX5AP (0.39) ALOX5APFEN1F2RL3GPR119KDM4E
SCHEMBL6583997 0.85 PRMT5 (0.38) ALOX5APFEN1F2RL3GPR119MAPT
SCHEMBL21985057 0.84 CHRNB2 (0.53) ALOX5APFEN1F2RL3GPR119GRM5
SCHEMBL14941701 0.84 CHRNB2 (0.53) ALOX5APFEN1F2RL3GPR119GRM5
SCHEMBL21845298 0.83 ALOX5AP (0.49) ALOX5APFEN1F2RL3GPR119MAPT
SCHEMBL14941875 0.83 ALOX5AP (0.45) ALOX5APFEN1F2RL3GPR119LMNA
SCHEMBL14941885 0.83 ALOX5AP (0.45) ALOX5APFEN1F2RL3GPR119LMNA
SCHEMBL7475109 0.82 CHRNB2 (0.54) ALOX5APFEN1
SCHEMBL7453857 0.82 CHRNB2 (0.54) F2RL3GPR119

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
EP-2776030-B1 2,5-DISUBSTITUTED-PYRIDYL NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-13 EP disclosed