SCHEMBL2651586

SCHEMBL2651586

CCc1cccc(NS(=O)(=O)c2ccccc2NC(=O)NC(c2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cccc(NS(=O)(=O)c2cc(C)ccc2NC(=O)NC(c2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 5/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
GAA P10253 1/20 0.40
GCGR P47871 10/20 0.40
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
GIPR P48546 5/20 0.36
GLP1R P43220 1/20 0.36
LMNA P02545 4/20 0.35
XBP1 P17861 1/20 0.35
ALDH1A1 P00352 5/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.33
ADCY6 O43306 1/20 0.33
ADCY3 O60266 1/20 0.33
ADCY9 O60503 1/20 0.33
ADCY5 O95622 1/20 0.33
ADCY8 P40145 1/20 0.33

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
SCHEMBL2650817 0.94 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL2652191 0.91 GCGR (0.47) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL2661428 0.90 GCGR (0.47) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL6748418 0.89 GCGR (0.48) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL2650883 0.89 GCGR (0.49) SMN1; SMN2MAPTGCGROPRM1OPRK1
SCHEMBL6751674 0.88 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL2651922 0.88 NPSR1 (0.50) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL6753872 0.87 MAPT (0.45) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL6751732 0.87 MAPT (0.45) SMN1; SMN2MAPTHTTNPSR1GAA
SCHEMBL2650819 0.83 OPRM1 (0.40) SMN1; SMN2MAPTHTTNPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002040444-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 WO claimed