SCHEMBL2654574

SCHEMBL2654574

Cc1ccc(-c2ccc(SCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.57
PTAFR P25105 2/20 0.52
HRH3 Q9Y5N1 1/20 0.44
RARB P10826 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL2656017 0.88 S1PR1 (0.53) HRH3RARBALDH1A1KMT2AMAPT
SCHEMBL2653397 0.88 HSD17B10 (0.49) GCGHRH3RARBALDH1A1CYP1A2
SCHEMBL2654996 0.86 FFAR1 (0.48) GCGHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL2656425 0.86 HRH3 (0.44) GCGPTAFRHRH3ALDH1A1CYP1A2
SCHEMBL2654669 0.84 CA1 (0.46) HRH3ALDH1A1KMT2AMAPTNPC1
SCHEMBL2654485 0.84 NPC1 (0.47) GCGPTAFRHRH3KMT2ANPC1
SCHEMBL2655431 0.84 EPHX2 (0.47) HRH3PLA2G4BS1PR1
SCHEMBL2655347 0.84 HPGD (0.43) GCGHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL2655487 0.83 GCG (0.60) GCGPTAFRHRH3PSEN1PSEN2
SCHEMBL2654871 0.82 SLC13A5 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed