SCHEMBL22424344

SCHEMBL22424344

COc1ccc(CNc2nc3c(c(=O)[nH]2)C[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 10/20 0.49
▸ PDE9A O76083 4/20 0.43
▸ FABP4 P15090 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ SSTR3 P32745 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 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
SCHEMBL22424223 1.00 CLPP (0.49) CLPPPDE9AFABP4GRIN2CSSTR3
SCHEMBL22424564 1.00 CLPP (0.49) CLPPPDE9AFABP4GRIN2CSSTR3
SCHEMBL22424704 0.87 CLPP (0.45) CLPPPDE9AFABP4
SCHEMBL22424333 0.84 CLPP (0.54) CLPPPDE9AHPGD
SCHEMBL22423967 0.81 P2RX7 (0.41) HPGD
SCHEMBL22424185 0.80 MAPT (0.40) GRIN2CHPGD
SCHEMBL22424208 0.80 MAPT (0.40) GRIN2CHPGD
SCHEMBL22423936 0.80 MAPT (0.40) GRIN2CHPGD
SCHEMBL22424550 0.78 CLPP (0.53) CLPPPDE9AHPGD
SCHEMBL22424585 0.77 CLPP (0.52) CLPPPDE9A

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-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO disclosed
Send feedback