SCHEMBL8833256

SCHEMBL8833256

CCCc1cnc([N]C(=O)C2CCC2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.33
CHRNA7 P36544 1/20 0.33
CDK2 P24941 1/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 3/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL8833608 0.94 FDPS (0.38) FDPSSMN1; SMN2CHRNA7CDK2POLB
SCHEMBL8833619 0.89 SMYD3 (0.38) FDPSSMN1; SMN2CDK2GAATSHR
SCHEMBL8833561 0.83 SMYD3 (0.40) FDPSSMN1; SMN2CHRNA7CDK2GAA
SCHEMBL8833314 0.76 FDPS (0.40) FDPSSMN1; SMN2CDK2HSD17B10ALDH1A1
SCHEMBL8833649 0.76 CCNE1 (0.38) SMN1; SMN2CDK2ALDH1A1
SCHEMBL8832893 0.73 FDPS (0.39) FDPSSMN1; SMN2CDK2TSHRMAPT
SCHEMBL8833145 0.72 CDK2 (0.38) FDPSSMN1; SMN2CDK2NPC1RAB9A
SCHEMBL8833849 0.69 CCNE1 (0.34) CDK2NPC1RAB9A
Water SCHEMBL27981891 0.66 FDPS (0.39) FDPSCDK2
SCHEMBL8834125 0.65 FDPS (0.37) FDPSSMN1; SMN2CDK2KDM4EALDH1A1

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-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed