SCHEMBL7185235

SCHEMBL7185235

CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
PIK3CD O00329 2/20 0.46
USP30 Q70CQ3 4/20 0.44
BTK Q06187 1/20 0.44
SYK P43405 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
STS P08842 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA1 P30542 1/20 0.41
IDH1 O75874 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL29124348 1.00 HSD11B1 (0.49) HSD11B1PIK3CDUSP30BTKSYK
SCHEMBL31170927 1.00 HSD11B1 (0.49) HSD11B1PIK3CDUSP30BTKSYK
SCHEMBL7185231 1.00 HSD11B1 (0.49) HSD11B1PIK3CDUSP30BTKSYK
SCHEMBL29124443 0.88 HSD11B1 (0.51) HSD11B1PIK3CDUSP30BTKGPR119
SCHEMBL31170926 0.88 HSD11B1 (0.51) HSD11B1PIK3CDUSP30BTKGPR119
SCHEMBL29124441 0.88 HSD11B1 (0.51) HSD11B1PIK3CDUSP30BTKGPR119
SCHEMBL2636954 0.87 HSD11B1 (0.63) HSD11B1PIK3CDUSP30BTKGPR119
SCHEMBL2636953 0.87 HSD11B1 (0.63) HSD11B1PIK3CDUSP30BTKGPR119
SCHEMBL23236169 0.86 HSD11B1 (0.49) HSD11B1PIK3CDPIK3CAMAPTTDP1
SCHEMBL23236166 0.86 HSD11B1 (0.49) HSD11B1PIK3CDPIK3CAMAPTTDP1

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
CN-112689637-B Imidazopyridone compounds 橘生药品工业株式会社 2023-11-10 CN disclosed
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed