SCHEMBL5227764

SCHEMBL5227764

Cc1cc(F)ccc1C1CNCCC1C(=O)OC(C)(C)CNC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CHRM3 P20309 4/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
RORC P51449 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 5/20 0.35
HTR2C P28335 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 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
SCHEMBL5226602 1.00 MAPT (0.41) MAPTPKMCHRM3ITGB3ITGA2B
SCHEMBL5221674 1.00 MAPT (0.41) MAPTPKMCHRM3ITGB3ITGA2B
SCHEMBL5225669 0.88 MAPT (0.48) MAPTPKMITGB3ITGA2BTACR1
SCHEMBL5226251 0.81 MAPT (0.41) MAPTPKMCHRM3TACR1
SCHEMBL7367007 0.81 ALDH1A1 (0.43) ITGB3ITGA2BHTR2C
SCHEMBL8036361 0.78 ITGB3 (0.45) ITGB3ITGA2BHTR2C
SCHEMBL7397160 0.75 ALDH1A1 (0.43) ITGB3ITGA2BHTR2C
SCHEMBL5221687 0.75 BCL9 (0.43) MAPTITGB3ITGA2BRORC
SCHEMBL20530504 0.72 TACR1 (0.42) MAPTPKMTACR1
SCHEMBL5162250 0.71 REN (0.44)

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-1789389-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-05-30 EP disclosed
WO-2006030984-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-03-23 WO disclosed