SCHEMBL27509165

SCHEMBL27509165

CC(CC(=N)CC(=O)Nc1ccc(F)cc1)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.41
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 2/20 0.40
▸ NOTUM Q6P988 2/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 1/20 0.39
▸ NMT2 O60551 1/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ SPR P35270 1/20 0.39
▸ STING1 Q86WV6 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL27495704 0.92 TDO2 (0.44) MAPTSTING1MEN1KMT2AL3MBTL1
SCHEMBL27493350 0.89 RORC (0.41) MAPTNMT2NMT1ALDH1A1
SCHEMBL27495706 0.83 LMNA (0.42) MPOMTNR1AMTNR1BNOTUMMAPT
SCHEMBL27510230 0.83 THRB (0.40) MAPTIDO1TDO2ALDH1A1
SCHEMBL27495705 0.79 HTR2A (0.45) MPOMTNR1AMTNR1BNOTUMTSHR
SCHEMBL28749184 0.78 TSHR (0.48) MPOMTNR1AMTNR1BNOTUMTSHR
SCHEMBL5791726 0.78 TSHR (0.56) MPOMTNR1AMTNR1BNOTUMTSHR
SCHEMBL5791452 0.78 TSHR (0.56) MPOMTNR1AMTNR1BNOTUMTSHR
SCHEMBL5793488 0.78 TSHR (0.56) MPOMTNR1AMTNR1BNOTUMTSHR
SCHEMBL27509545 0.76 MPO (0.38) MPOMTNR1AMTNR1BNOTUMANO1

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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 — — CN disclosed
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