SCHEMBL7299663

SCHEMBL7299663

CN(C(=O)C(F)(F)F)C1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.46
GFER P55789 4/20 0.46
CASP6 P55212 1/20 0.46
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2C P18825 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
NOTUM Q6P988 2/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
USP2 O75604 2/20 0.38

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
SCHEMBL2636420 0.92 NOTUM (0.44) NPY5RGFERCASP6NOTUM
SCHEMBL3123617 0.83 GFER (0.50) NPY5RGFERCASP6MAPTALDH1A1
SCHEMBL7287775 0.83 GFER (0.54) NPY5RGFERCASP6MAPTALDH1A1
SCHEMBL7293116 0.82 MAPT (0.54) MAPTALDH1A1KMT2ALMNAMAPK1
SCHEMBL3668764 0.81 KDM4E (0.49) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL4171144 0.81 NPY5R (0.56) NPY5RMAPTHTTMAPK1NOTUM
SCHEMBL2636418 0.80 MCHR1 (0.47) MAPTNOTUM
SCHEMBL3667948 0.79 AOC3 (0.37) KDM4ELMNA
SCHEMBL594199 0.79 GPR119 (0.46) NPY5RGFERCASP6MAPTALDH1A1
SCHEMBL19652188 0.78 NOTUM (0.52) NPY5RMAPTLMNANOTUMCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503411-B1 Substituted N-phenylpiperidines and medicaments thereof BASF AG (DE) 1995-11-29 EP disclosed
US-5296485-A Substituted N-phenylpiperidines and drugs therefrom BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed
EP-0503411-A1 Substituted N-phenylpiperidines and medicaments thereof BASF Aktiengesellschaft (DE) 1992-09-16 EP disclosed