SCHEMBL12835692

SCHEMBL12835692

N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.45
CHRM4 P08173 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
ACACB O00763 1/20 0.43
KDM1A O60341 2/20 0.43
IDH2 P48735 2/20 0.42
LIPG Q9Y5X9 2/20 0.41
LPL P06858 1/20 0.41
TLR8 Q9NR97 1/20 0.41
CYP3A4 P08684 2/20 0.40
SLC6A9 P48067 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40

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
Hydrochloric Acid SCHEMBL1514544 0.99 FFAR2 (0.44) FFAR2CHRM4DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL1514406 0.99 FFAR2 (0.44) FFAR2CHRM4DPP4DPP8DPP9
SCHEMBL12835674 0.90 SMN1; SMN2 (0.42) FFAR2CHRM4SMN1; SMN2TSHRKDM1A
Hydrochloric Acid SCHEMBL1514680 0.89 SMN1; SMN2 (0.41) FFAR2CHRM4SMN1; SMN2TSHRKDM1A
Hydrochloric Acid SCHEMBL1514458 0.89 SMN1; SMN2 (0.41) FFAR2CHRM4SMN1; SMN2TSHRKDM1A
SCHEMBL22186838 0.83 IDH2 (0.43) IDH2LIPGLPLCYP3A4MAPT
SCHEMBL22186371 0.83 IDH2 (0.43) IDH2LIPGLPLCYP3A4MAPT
SCHEMBL13175769 0.82 AR (0.52) FFAR2CHRM4DPP4DPP8DPP9
SCHEMBL4635419 0.82 DPP4 (0.49) FFAR2CHRM4DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28919352 0.82 IDH2 (0.43) IDH2LIPGLPLCYP3A4MAPT

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-2011025799-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2011-03-03 WO disclosed