SCHEMBL6825901

SCHEMBL6825901

Cc1ncccc1CON

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.46
DCPS Q96C86 1/20 0.44
FFAR1 O14842 1/20 0.41
P2RX7 Q99572 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
SCHEMBL14615243 0.82 KDM4E (0.49) DCPSFFAR1P2RX7
SCHEMBL14348152 0.77 FFAR1 (0.45) DCPSFFAR1P2RX7
SCHEMBL4382528 0.77 IDO1 (0.52) IDO1
SCHEMBL261850 0.77
SCHEMBL3962715 0.77 FFAR1 (0.51) DCPSFFAR1
SCHEMBL2084571 0.77 BACE1 (0.40) DCPSFFAR1P2RX7
SCHEMBL4390299 0.76 IDO1 (0.53) IDO1
SCHEMBL11811154 0.76 FFAR1 (0.41) DCPSFFAR1P2RX7
SCHEMBL1228806 0.76 FFAR1 (0.41) DCPSFFAR1P2RX7
SCHEMBL27752600 0.76 FFAR1 (0.39) DCPSFFAR1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed