SCHEMBL2650756

SCHEMBL2650756

Cc1ccc(N(C(=O)Nc2ncc(CN3CCCCC3)s2)N(C(=O)Nc2ncc(CN3CCOCC3)s2)c2ccc(C)cc2N2CCCCC2)c(N2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
OGA O60502 11/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MAPK13 O15264 1/20 0.41
ACKR3 P25106 1/20 0.39
HTT P42858 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL2650754 0.84 SMN1; SMN2 (0.52) SMN1; SMN2OGACYP1A2CYP3A4CYP2C19
SCHEMBL1343127 0.83 SMN1; SMN2 (0.50) SMN1; SMN2OGACYP1A2CYP3A4CYP2C19
SCHEMBL1343375 0.79 SMN1; SMN2 (0.56) SMN1; SMN2OGAACKR3OPRK1
SCHEMBL2652027 0.78 OGA (0.44) SMN1; SMN2OGACYP1A2CYP3A4CYP2C19
SCHEMBL2651301 0.77 GAA (0.36) SMN1; SMN2CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL1343032 0.74 SMN1; SMN2 (0.50) SMN1; SMN2OGAACKR3
SCHEMBL1341711 0.74 SMN1; SMN2 (0.49) SMN1; SMN2OGAACKR3
SCHEMBL1342754 0.74 OGA (0.51) SMN1; SMN2OGA
SCHEMBL1343227 0.73 SMN1; SMN2 (0.48) SMN1; SMN2OGAACKR3
SCHEMBL1343325 0.72 SMN1; SMN2 (0.47) SMN1; SMN2OGAACKR3

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
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed