SCHEMBL9311325

SCHEMBL9311325

N#CNc1cc(F)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.40
ADORA2A P29274 3/20 0.40
MAPT P10636 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
CHRM3 P20309 2/20 0.36
IDH2 P48735 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAP2K4 P45985 1/20 0.36
ADORA2B P29275 2/20 0.35
METAP2 P50579 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9311141 0.86 MAPT (0.42) ADORA1ADORA2AMAPTSQORRXFP1
SCHEMBL16616535 0.80 MAPT (0.44) ADORA1MAPTCHRM3IDH2MAP2K4
SCHEMBL9535622 0.79 FABP4 (0.48) ADORA1ADORA2ASQORRXFP1KDM4E
SCHEMBL9311756 0.79 STAT3 (0.41) ADORA1ADORA2ASQORCHRM3KDM4E
SCHEMBL9311087 0.78 KDM4E (0.44) ADORA1ADORA2ARXFP1CHRM3KDM4E
SCHEMBL9310587 0.77 FABP3 (0.43) MAPTKDM4EHPGDHTTALDH1A1
SCHEMBL30604026 0.77 ADORA1 (0.43) ADORA1MAPTCHRM3IDH2HPGD
SCHEMBL9311135 0.76 PTGS2 (0.36) MAPTKDM4EHPGDALDH1A1LMNA
SCHEMBL20522454 0.74 QPCT (0.38) ADORA1ADORA2AMAPTRXFP1CHRM3
SCHEMBL4780146 0.73 ADORA1 (0.46) ADORA1ADORA2ASQORRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed