SCHEMBL2882312

SCHEMBL2882312

COC(=O)C[C@@H]1C(=O)CCN(C(=O)O)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.38
TACR1 P25103 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTNR1B P49286 1/20 0.36

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
SCHEMBL3498586 1.00 TRPM8 (0.38) TRPM8TACR1PSEN1PSEN2APH1B
SCHEMBL2711844 1.00 TRPM8 (0.38) TRPM8TACR1PSEN1PSEN2APH1B
SCHEMBL10059090 0.85 TSHR (0.44) TACR1MTNR1B
SCHEMBL1037910 0.85 TSHR (0.44) TACR1MTNR1B
SCHEMBL8196277 0.85 TSHR (0.44) TACR1MTNR1B
SCHEMBL3580847 0.79 TACR1 (0.44) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3498597 0.75 NOD2 (0.38) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2713349 0.75 NOD2 (0.38) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1709471 0.69 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1709470 0.68 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed