SCHEMBL5782709

SCHEMBL5782709

CC(C)c1ccc(NNC(CO)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 3/20 0.40
▸ PDE2A O00408 2/20 0.40
▸ PANK3 Q9H999 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ EEF2K O00418 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ CDK1 P06493 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8299228 0.85 CA12 (0.43) UTS2RPDE2APANK3TP53MAPT
SCHEMBL27634082 0.84 UTS2R (0.40) UTS2RPDE2APANK3TP53MAPT
SCHEMBL2765266 0.79 CNR2 (0.39) PANK3TP53MAPTALDH1A1
SCHEMBL84043 0.74 PDE2A (0.53) PDE2AAKR1C3AKR1C2PTPN5KIF11
Ammonia Solution, Strong SCHEMBL27642816 0.72 PDE2A (0.52) PDE2AAKR1C3AKR1C2PTPN5KIF11
SCHEMBL2859953 0.70 UTS2R (0.37) UTS2RPDE2APANK3TP53MAPT
SCHEMBL855311 0.70 FFAR1 (0.55) MAPTALDH1A1
SCHEMBL27290792 0.70 FPR2 (0.47) TP53MAPTEEF2KALDH1A1
SCHEMBL29331540 0.69 PDE2A (0.46) PDE2AAKR1C3AKR1C2
Ethylamine SCHEMBL27563059 0.69 PDE2A (0.50) PDE2APTPN5KIF11ALDH1A1

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
EP-1656141-A1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LTD. (GB) 2006-05-17 — — EP disclosed
WO-2005013985-A1 TREATMENT FOR ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2005-02-17 — — WO disclosed
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