SCHEMBL7370651

SCHEMBL7370651

N[S+]([O-])C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.41
GRIN3B O60391 7/20 0.41
GRIN1 Q05586 7/20 0.41
GRIN2A Q12879 7/20 0.41
GRIN2B Q13224 7/20 0.41
GRIN2C Q14957 7/20 0.41
GRIN3A Q8TCU5 7/20 0.41
LMNA P02545 2/20 0.41
SLC22A2 O15244 2/20 0.41
SLC47A1 Q96FL8 2/20 0.41
SLC22A1 O15245 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
STAT6 P42226 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Ethylene SCHEMBL1045496 0.76 EPHX2 (0.39) TSHR
SCHEMBL1073678 0.72 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12424284 0.72 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10733073 0.67 SLC22A2 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16139497 0.67 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2603141 0.65 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL9640240 0.63 GRIN1 (0.93) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL21309814 0.59 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL21310017 0.59 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL480287 0.59 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907068-A TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES ZENECA INC. (US) 1999-05-25 US disclosed
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US disclosed
US-5414132-A Peptide intermediates ZENECA INC. (US) 1995-05-09 US disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP disclosed