SCHEMBL2326558

SCHEMBL2326558

N#Cc1cccc(CN2CC[C@@H](CNS(=O)(=O)c3ccc4c(c3)CNCC4)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.45
HTR2B P41595 3/20 0.45
TPSAB1 Q15661 1/20 0.41
PNMT P11086 6/20 0.41
F10 P00742 3/20 0.39
PARG Q86W56 2/20 0.39
KCNH2 Q12809 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
ROCK2 O75116 2/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL2325049 0.87 F10 (0.51) F10
Hydrochloric Acid SCHEMBL2329804 0.84 F10 (0.52) F10
SCHEMBL2326821 0.83 F10 (0.51) F10
SCHEMBL8425668 0.81 FNTA (0.41) PNMTF10KCNH2DRD2DRD3
SCHEMBL8425665 0.80 F10 (0.46) HTR2CHTR2BPNMTF10DRD2
SCHEMBL8423957 0.80 DRD4 (0.42) F10PARGKCNH2DRD2DRD3
SCHEMBL2330488 0.79 F10 (0.54) F10
SCHEMBL8424198 0.79 F10 (0.46) F10
SCHEMBL2329650 0.78 F10 (0.55) F10
SCHEMBL8622746 0.77 KCNH2 (0.40) PARGKCNH2DRD2ROCK2HTR6

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
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed