SCHEMBL11452829

SCHEMBL11452829

CCc1nn(C(C)c2ccc(C)c(Cl)c2)c(OC(C)=O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 4/20 0.39
▸ GCGR P47871 4/20 0.35
▸ MAPT P10636 3/20 0.34
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL11451924 0.88 GPR139 (0.37) GPR139GCGRMAPTFABP3FABP4
SCHEMBL11463589 0.82 MAP3K14 (0.43) GPR139GCGRLMNAALDH1A1HPGD
SCHEMBL11462608 0.80 GCGR (0.39) GPR139GCGRMAPTDHODHTP53
SCHEMBL11465039 0.79 GCGR (0.40) GPR139GCGRMAPTDHODHTP53
SCHEMBL11461875 0.78 MAPT (0.38) GPR139GCGRMAPTALDH1A1KDM4E
SCHEMBL11452563 0.78 GCGR (0.33) GPR139GCGRMAPTFABP3FABP4
SCHEMBL11509039 0.77 GPR139 (0.37) GPR139MAPTLMNAGAAMAPK1
SCHEMBL11459811 0.77 GCGR (0.39) GPR139GCGRMAPTDHODHTP53
SCHEMBL11453337 0.76 PDE2A (0.39) LMNAPOLBALDH1A1KDM4E
SCHEMBL11454347 0.74 MAP3K14 (0.41) GPR139GCGRMAPTTP53GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207325-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE AND ANTITHROMBOTIC PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1980-06-10 — — US disclosed
US-4207335-A ANTIALLERGENS BEECHAM GROUP LIMITED (GB) 1980-06-10 — — US disclosed
US-4113872-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS BAKER AKTIENGESELLSHAFT (DE) 1978-09-12 — — US disclosed
US-4112109-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4099011-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-07-04 — — US disclosed
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