SCHEMBL27509545

SCHEMBL27509545

CC(CC(=N)CCNc1cccc(F)c1)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 8/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ SNCA P37840 2/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ GUSB P08236 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
SCHEMBL27511350 0.92 TDO2 (0.37) HTR2AHTR2CMAPTSMN1; SMN2NR3C1
SCHEMBL27532210 0.90 SNCA (0.41) MAPTSMN1; SMN2SLC6A4NR3C1SNCA
SCHEMBL27495318 0.84 GUSB (0.39) MAPTSMN1; SMN2SLC6A4NR3C1SNCA
SCHEMBL27494526 0.83 ALDH1A1 (0.42) MPOHTR2AHTR2CMAPTMTNR1A
SCHEMBL27557418 0.79 HTT (0.43) HTR2CSLC6A4
SCHEMBL27495705 0.79 HTR2A (0.45) MPOHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL27509165 0.76 MPO (0.41) MPOHTR2AHTR2CMAPTMTNR1A
SCHEMBL27510950 0.75 TDO2 (0.42) MAPT
SCHEMBL28749184 0.73 TSHR (0.48) MPOHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL5791452 0.72 TSHR (0.56) MPOHTR2AHTR2CMTNR1AMTNR1B

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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