SCHEMBL10550803

SCHEMBL10550803

S=C1NCC(COc2ccccc2Cl)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
SSTR4 P31391 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
TSHR P16473 1/20 0.36
METAP2 P50579 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A3 Q01959 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL25366060 0.74 KMT2A (0.39) SLC6A2SLC6A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2302832 0.71 SSTR4 (0.48) GRM2SSTR4SLC6A2SLC6A4TSHR
SCHEMBL27495902 0.71 GRM2 (0.38) GRM2SSTR4SLC6A2SLC6A4DPP4
SCHEMBL1397024 0.71 SLC6A4 (0.40) GRM2SSTR4SLC6A2SLC6A4DPP4
SCHEMBL2202363 0.71 SSTR4 (0.40) GRM2SSTR4SLC6A2SLC6A4DPP4
SCHEMBL2544615 0.70 CHRNA3 (0.68) SLC6A2SLC6A4CHRNB2CHRNA4
SCHEMBL1396836 0.70 CHRNA3 (0.68) SLC6A2SLC6A4CHRNB2CHRNA4
SCHEMBL2202899 0.67 DPP4 (0.43) GRM2SLC6A2SLC6A4DPP4PREP
SCHEMBL31071539 0.67 SLC6A2 (0.55) SSTR4SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL10552599 0.67 METAP2 (0.40) GRM2SSTR4METAP2HTR1AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826861-A MEDICAL BACTERICIDES OR FUNGICIDES ALBERT ROLAND, S.A. (FR) 1989-05-02 US disclosed
US-4647557-A Novel heterocyclic derivatives bearing an amino radical, processes for their production and the pharmaceutical compositions containing them MOINET GERARD (FR) 1987-03-03 US disclosed