SCHEMBL5310845

SCHEMBL5310845

O=C(O)C(Cc1ccccc1)(C1CCNCC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
GBA1 P04062 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 1/20 0.36
CES1 P23141 1/20 0.36
F2 P00734 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
SCHEMBL2358483 0.81 SLC6A2 (0.39) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL28021430 0.73 HRH1 (0.56) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL27714822 0.72 HRH1 (0.44) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL4720825 0.72 MEN1 (0.54) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL11861949 0.71 HRH1 (0.53) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL9978781 0.70 GBA1 (0.50) HRH1MEN1LMNACYP2D6SCN1A
Hydrochloric Acid SCHEMBL11843236 0.70 HRH1 (0.51) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL5651523 0.69 SLC6A2 (0.50) HRH1MEN1LMNACYP2D6SCN1A
Trifluoroacetic Acid SCHEMBL27730411 0.69 SLC6A2 (0.52) HRH1ITGB3ITGA2BSLC6A2SLC6A4
SCHEMBL1477277 0.67 GBA1 (0.50) HRH1MEN1LMNACYP2D6SCN1A

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-1805141-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-07-11 EP disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 WO disclosed