SCHEMBL7709008

SCHEMBL7709008

NN=CNC(=O)C1=Cc2ccccc2CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.36
GPR183 P32249 1/20 0.35
CCR5 P51681 13/20 0.35
KDM1A O60341 1/20 0.35
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL7714808 0.95 GPR183 (0.35) GPR84GPR183CCR5KDM1ACYP19A1
SCHEMBL7759563 0.92 CXCR5 (0.32) GPR84GPR183CCR5KDM1AHTT
SCHEMBL7714852 0.87 CXCR5 (0.33) GPR183CCR5SMN1; SMN2
SCHEMBL29001777 0.79 KDM1A (0.40) GPR84CCR5KDM1AMAOAMAOB
SCHEMBL7714533 0.77 LMNA (0.30) SMN1; SMN2
SCHEMBL7714823 0.77 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2
SCHEMBL15821065 0.77 HDAC6 (0.44) GPR84CCR5KDM1ASMN1; SMN2MAOA
SCHEMBL7714890 0.77 CYP19A1 (0.34) KDM1ACYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL18599627 0.75 GAA (0.43) GPR84CCR5KDM1ASMN1; SMN2MAOA
SCHEMBL7708911 0.75 GRM7 (0.30)

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-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed