SCHEMBL2652938

SCHEMBL2652938

COC(=O)CCNC(=O)c1ccc(OCCCCc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PPARD Q03181 4/20 0.42
PPARA Q07869 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
GCG P01275 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
TP53 P04637 1/20 0.41
P2RX7 Q99572 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
DGAT1 O75907 1/20 0.41

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
SCHEMBL2653664 0.99 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2651240 0.94 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2654487 0.94 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2662329 0.92 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2650317 0.91 GCG (0.49) MEN1KMT2ANPC1RAB9APPARD
SCHEMBL2654285 0.90 GCG (0.48) MEN1KMT2ANPC1RAB9APPARD
SCHEMBL2652734 0.90 MEN1 (0.57) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2653250 0.90 MEN1 (0.57) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2654466 0.89 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2653990 0.89 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2NPC1

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed