SCHEMBL12835705

SCHEMBL12835705

N#Cc1ccccc1N1CC[C@H](N)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
GRM1 Q13255 1/20 0.42
GRM5 P41594 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SSTR5 P35346 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
SCHEMBL20129683 1.00 DPP4 (0.47) DPP4KDM4EALDH1A1PIM1PIM3
Hydrochloric Acid SCHEMBL1514528 0.98 DPP4 (0.47) DPP4KDM4EALDH1A1PIM1PIM3
Hydrochloric Acid SCHEMBL1514285 0.98 DPP4 (0.47) DPP4KDM4EALDH1A1PIM1PIM3
SCHEMBL2261269 0.91 KDM4E (0.47) DPP4KDM4EALDH1A1GRM5MEN1
SCHEMBL20129652 0.87 GRM1 (0.46) DPP4KDM4EALDH1A1GRM1GRM5
SCHEMBL7843992 0.85 PDCD1 (0.42) DPP4KDM4EALDH1A1GRM5OPRM1
SCHEMBL7997651 0.83 PDCD1 (0.43) DPP4KDM4EALDH1A1GRM5
SCHEMBL3597699 0.83 AR (0.63)
SCHEMBL20133877 0.83 GRM1 (0.44) DPP4KDM4EALDH1A1GRM1GRM5
SCHEMBL20129656 0.83 GRM1 (0.44) DPP4KDM4EALDH1A1GRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2011025799-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2011-03-03 WO disclosed