SCHEMBL9682387

SCHEMBL9682387

CCCCC1NCC(CO)(C(F)(F)F)N1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.43
ACHE P22303 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
PPARG P37231 2/20 0.40
CNR2 P34972 1/20 0.38
AGTR2 P50052 2/20 0.36
PTPN5 P54829 1/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAB1 Q9Y478 3/20 0.36
GBA1 P04062 1/20 0.35
UGCG Q16739 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
ESR2 Q92731 1/20 0.34

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
SCHEMBL5411252 0.77 AGTR1 (0.43) AGTR1ACHELTB4R2PPARGCNR2
SCHEMBL9682389 0.76 ACHE (0.45) AGTR1ACHELTB4R2PPARGCNR2
SCHEMBL5411257 0.71 ACHE (0.45) AGTR1ACHELTB4R2PPARGCNR2
SCHEMBL9402468 0.71 ACHE (0.44) AGTR1ACHELTB4R2PPARGCNR2
SCHEMBL7649207 0.69 ACHE (0.47) AGTR1ACHELTB4R2PPARGCNR2
SCHEMBL2692039 0.66 PPARG (0.53) AGTR1ACHEPPARGAGTR2PTPN5
SCHEMBL8305889 0.66 ACHE (0.37) AGTR1ACHELTB4R2PPARGCNR2
SCHEMBL4253889 0.65 HSD17B10 (0.58) AGTR1ACHEPPARGAGTR2ESR2
SCHEMBL9683668 0.65 ACHE (0.58) AGTR1ACHELTB4R2PPARGAGTR2
SCHEMBL29137192 0.65 AGTR1 (0.52) AGTR1ACHELTB4R2PPARGCNR2

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
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed