SCHEMBL27701201

SCHEMBL27701201

Nc1ccc(F)c(C2CCN(OC=O)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
PARP10 Q53GL7 1/20 0.31
CRBN Q96SW2 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CCR2 P41597 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27701280 0.81
SCHEMBL27701228 0.81 HTR1D (0.33) HTR1DHTR1B
SCHEMBL1031183 0.78 CHRNB2 (0.41) HTR1DHTR1BCRBNCHRNB2CHRNA4
SCHEMBL5005427 0.77 HTR1D (0.55) HTR1DHTR1BMAPT
SCHEMBL27682141 0.77 HDAC1 (0.34) PARP10CCR2
SCHEMBL3816206 0.75 RBP4 (0.39) HTR1DHTR1BPARP10CCR2
SCHEMBL27682140 0.74 DDB1 (0.41) PARP10CRBN
SCHEMBL27682112 0.73 SCN9A (0.31)
SCHEMBL23113445 0.73 BACE1 (0.42) CHRNB2CHRNA4ALDH1A1MAPTGFER
SCHEMBL27682115 0.71 CRBN (0.30) CRBN

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-101035534-A Amino substituted aryloxybenzylpiperidine derivatives LUNDBECK & CO AS H (DK) 2007-09-12 CN disclosed