SCHEMBL5221088

SCHEMBL5221088

CCCCOC(=O)N1CCC(C(=O)OC)C(c2ccc(F)cc2C)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.48
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
OPRL1 P41146 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 2/20 0.38
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5218252 0.85 SLC6A3 (0.42)
SCHEMBL4252177 0.82 TACR1 (0.51) TACR1CYP2D6CYP2C9CYP3A4
SCHEMBL4252168 0.82 TACR1 (0.51) TACR1CYP2D6CYP2C9CYP3A4
SCHEMBL4252171 0.82 TACR1 (0.51) TACR1CYP2D6CYP2C9CYP3A4
SCHEMBL26402882 0.80 PROKR1 (0.45) OPRL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL14920208 0.79 SLC18A2 (0.44) KDM4EMEN1ALDH1A1KMT2APKM
SCHEMBL18971977 0.79 TACR1 (0.47) TACR1CYP2D6CYP2C9CYP3A4PKM
SCHEMBL22721969 0.77 SIGMAR1 (0.43) TACR1CYP2D6CYP2C9CYP3A4
SCHEMBL4405607 0.75 SMN1; SMN2 (0.50) TACR1CYP2D6CYP2C9CYP3A4
SCHEMBL5259400 0.75 SMN1; SMN2 (0.50) TACR1CYP2D6CYP2C9CYP3A4

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-1765780-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-03-28 EP disclosed
WO-2006004195-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-01-12 WO disclosed