SCHEMBL2653579

SCHEMBL2653579

CC(C)(C)c1ccc(-c2ccc(CCCCCCOc3ccc(C(=O)NCCC(=O)O)cc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
GCG P01275 1/20 0.50
GCGR P47871 6/20 0.49
GIPR P48546 1/20 0.49
NR1H4 Q96RI1 4/20 0.48
EPHX2 P34913 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ADCY6 O43306 3/20 0.46
ADCY3 O60266 3/20 0.46
ADCY9 O60503 3/20 0.46
ADCY5 O95622 3/20 0.46
ADCY8 P40145 3/20 0.46

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
SCHEMBL2654622 0.94 GCG (0.53) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2651583 0.91 GCGR (0.49) NPC1RAB9AGCGGCGRGIPR
SCHEMBL2652475 0.91 GCGR (0.49) NPC1RAB9AGCGGCGRGIPR
SCHEMBL2653041 0.91 GCGR (0.49) NPC1RAB9AGCGGCGRGIPR
SCHEMBL2651638 0.91 GCGR (0.49) NPC1RAB9AGCGGCGRGIPR
SCHEMBL2651800 0.91 CASP3 (0.53) NPC1RAB9ACASP3SENP7GCG
SCHEMBL2651512 0.91 GCG (0.51) NPC1RAB9AGCGGCGRSMN1; SMN2
SCHEMBL2653154 0.91 GCG (0.53) NPC1RAB9ACASP3SENP7GCG
SCHEMBL2651554 0.90 SMN1; SMN2 (0.58) NPC1RAB9ACASP3SENP7GCG
SCHEMBL2652203 0.90 GCGR (0.50) NPC1RAB9AGCGGCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO claimed
WO-2003016311-A1 TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-02-27 WO claimed