SCHEMBL6825947

SCHEMBL6825947

Cc1ncccc1CON=C1CCC(C)(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.35
ADAM17 P78536 2/20 0.35
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.33
NMT1 P30419 7/20 0.32
NR3C1 P04150 2/20 0.32
DCPS Q96C86 1/20 0.32
AR P10275 1/20 0.32
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL6826045 0.72 SSTR4 (0.39) MMP1ADAM17FFAR1CYP2C9NAMPT
SCHEMBL11811154 0.70 FFAR1 (0.41) FFAR1MAPTNMT1DCPSCYP2C9
SCHEMBL6825901 0.67 IDO1 (0.46) FFAR1DCPS
SCHEMBL14615243 0.65 KDM4E (0.49) FFAR1MAPTNMT1DCPS
SCHEMBL14348152 0.62 FFAR1 (0.45) FFAR1MAPTNMT1DCPS
SCHEMBL261850 0.61
SCHEMBL3962715 0.61 FFAR1 (0.51) MMP1ADAM17FFAR1MAPTNMT1
SCHEMBL1228806 0.60 FFAR1 (0.41) MMP1ADAM17FFAR1NMT1DCPS
SCHEMBL27752600 0.60 FFAR1 (0.39) FFAR1MAPTNMT1DCPS
Hydrochloric Acid SCHEMBL5010799 0.60 DPP4 (0.44) DCPSCYP2C9NAMPT

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