SCHEMBL27480477

SCHEMBL27480477

N=c1ccccc(CC=Cc2ccccc2)n1.[H+]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
PAM P19021 1/20 0.40
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
HTR2A P28223 3/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAOB P27338 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 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
SCHEMBL6183183 0.77 IDO1 (0.41) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL11212898 0.76 NPC1 (0.54) IDO1PAMKDM4ENPC1RAB9A
SCHEMBL30301304 0.76 NPC1 (0.54) IDO1PAMKDM4ENPC1RAB9A
SCHEMBL28009473 0.75 LMNA (0.54) PAMKDM4ENPC1RAB9AL3MBTL1
SCHEMBL2034448 0.74 IDO1 (0.47) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL2034451 0.74 IDO1 (0.47) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL6980487 0.73 GRM4 (0.38) KDM4ENPC1RAB9ATDP1MAPT
SCHEMBL6980486 0.73 GRM4 (0.38) KDM4ENPC1RAB9ATDP1MAPT
SCHEMBL10399942 0.69 IDO1 (0.36) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL9748835 0.69 IDO1 (0.43) IDO1PAMPTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105706-C Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2003-04-16 CN claimed
CN-1305993-A Cyclic guanyl preparation used as nitrogen oxide synthetic enzyme inhibitor SEARLE & CO (US) 2001-08-01 CN claimed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 CN claimed
CN-1105706-C Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2003-04-16 CN disclosed
CN-1305993-A Cyclic guanyl preparation used as nitrogen oxide synthetic enzyme inhibitor SEARLE & CO (US) 2001-08-01 CN disclosed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 CN disclosed