SCHEMBL8624562

SCHEMBL8624562

Cc1ccc(C(=O)OC2(N)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 4/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PRMT1 Q99873 1/20 0.46

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
SCHEMBL8623218 0.85 MAPK1 (0.54) LMNAPOLBMAPK1ALDH1A1MEN1
SCHEMBL10509216 0.82 CYP2D6 (0.54) POLBMAPK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL10510648 0.79 POLB (0.52) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL27484059 0.78 GAA (0.48) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL8591800 0.76 CHRM2 (0.53) LMNAPOLBMAPK1ALDH1A1MEN1
SCHEMBL8623458 0.76 DRD2 (0.61) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL8550662 0.75 SCN1A (0.63) LMNAPOLBMAPK1ALDH1A1MEN1
SCHEMBL15387485 0.74 FAAH (0.55) LMNAPOLBMAPK1ALDH1A1MEN1
SCHEMBL6543289 0.74 OPRL1 (0.55) LMNAPOLBMAPK1ALDH1A1MEN1
SCHEMBL9684889 0.74 CYP3A4 (0.56) LMNAPOLBALDH1A1MEN1KMT2A

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-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP disclosed
WO-1996035666-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 1996-11-14 WO disclosed