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SCHEMBL27767267

SCHEMBL27767267

CCC1CC(NCc2ccccc2)CC(Cc2ccccc2)N1OC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 13/20 0.45
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ TACR3 P29371 2/20 0.36
▸ CETP P11597 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ENO1 P06733 1/20 0.36

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
SCHEMBL28793950 0.96 TACR1 (0.41) TACR1DPP8DPP9DPP7GRIN2B
SCHEMBL27746410 0.84 TACR1 (0.40) TACR1CETP
SCHEMBL27767315 0.80 TACR1 (0.48) TACR1DPP8DPP9DPP7TACR3
SCHEMBL27746436 0.80 CETP (0.43) TACR1TACR3CETP
SCHEMBL27767322 0.78 ABCB1 (0.39) CETPENO1
SCHEMBL3950021 0.78 CETP (0.57) TACR1CETP
SCHEMBL27613052 0.75 ACHE (0.54) TACR1GRIN2B
SCHEMBL757682 0.75 CETP (0.51) TACR1CETP
SCHEMBL757683 0.75 CETP (0.51) TACR1CETP
SCHEMBL9885647 0.75 CETP (0.51) TACR1CETP

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
CN-101490035-B Amino-piperidine derivatives as CETP inhibitors NOVARTIS AG 2013-02-13 — — CN disclosed
CN-101490035-A Amino-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-07-22 — — CN disclosed
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