SCHEMBL14625867

SCHEMBL14625867

CN(C)c1ccc2c(c1)N(C=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.42
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
HTR2A P28223 2/20 0.37
HTR6 P50406 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR2 P30518 3/20 0.36
AVPR1A P37288 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2A13 Q16696 1/20 0.35
HTR2C P28335 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL14626053 0.87 HTR2C (0.45) NPY2RHTR1AHTR7HTR2AHTR6
SCHEMBL14067250 0.73 NOTUM (0.63) NPY2RSMN1; SMN2ALDH1A1NOTUM
SCHEMBL14626054 0.73 APEX1 (0.44) ALDH1A1L3MBTL1MAPT
SCHEMBL30852680 0.72 ROCK1 (0.44) ALDH1A1
SCHEMBL14626247 0.71 GAA (0.46) HTR1AHTR7ALDH1A1NLRP3
SCHEMBL14626017 0.70 MAPT (0.47) SMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL14625894 0.70 L3MBTL1 (0.54) HTR1AHTR2ASMN1; SMN2AVPR1AHTR2C
SCHEMBL223608 0.70 MEN1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1NOTUMMAPT
SCHEMBL14626443 0.68 KMT2A (0.46) SMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL10267244 0.68 NOTUM (0.54) HTR2ASMN1; SMN2HTR2CCHRM1ALDH1A1

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
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed