SCHEMBL27696116

SCHEMBL27696116

CC(C)N1CCC(C(=O)O)CC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.44
▸ ACE P12821 1/20 0.42
▸ RIPK1 Q13546 7/20 0.42
▸ NOTUM Q6P988 3/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ AGTR2 P50052 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28185564 0.80 CFB (0.41) HRH3RIPK1KCNH2
SCHEMBL29943144 0.80 CHRNB2 (0.53) AKR1C3AKR1C1RIPK1NOTUML3MBTL1
SCHEMBL4102035 0.79 CHRNB2 (0.48) HRH3RIPK1KCNH2
SCHEMBL22473211 0.78 CHRNB2 (0.42) HRH3RIPK1KCNH2
SCHEMBL25053382 0.77 CFB (0.41) HRH3RIPK1KCNH2
SCHEMBL580929 0.77 AKR1C3 (0.51) AKR1C3AKR1C1RIPK1NOTUML3MBTL1
SCHEMBL22473161 0.77 CHRNB2 (0.41) HRH3RIPK1KCNH2
SCHEMBL25053364 0.77 CFB (0.41) HRH3RIPK1KCNH2
SCHEMBL4558489 0.77 TDP1 (0.46) RIPK1
SCHEMBL27696098 0.77 CHRNB2 (0.38) HRH3RIPK1KCNH2

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
CN-100345853-C Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2007-10-31 — — CN disclosed
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