SCHEMBL2652908

SCHEMBL2652908

OCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
FDFT1 P37268 2/20 0.53
P2RY14 Q15391 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KIF11 P52732 5/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
GAA P10253 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CA2 P00918 2/20 0.43
MIF P14174 1/20 0.42

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
SCHEMBL2653733 0.98 MAOB (0.56) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL2652794 0.98 MAOB (0.56) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL2653224 0.94 MAOB (0.59) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL2957360 0.94 HDAC1 (0.57) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL23176839 0.92 HDAC1 (0.56) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL4089161 0.92 HDAC1 (0.56) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL1047276 0.92 HDAC1 (0.56) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL1079525 0.92 HDAC1 (0.56) MAOBHDAC1HDAC8FDFT1P2RY14
SCHEMBL81840 0.88 TAAR1 (0.57) MAOBHDAC1HDAC8FDFT1TAAR1
SCHEMBL2272957 0.86 MAOB (0.63) MAOBHDAC1HDAC8FDFT1TAAR1

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