SCHEMBL8288251

SCHEMBL8288251

O=C(CNC1CCN(C(=O)C2CCCCC2)CC1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.64
ALDH1A1 P00352 5/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.46
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
FAP Q12884 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL5325757 0.85 KDM4E (0.61) DPP4ALDH1A1KDM4EPOLBMAPT
SCHEMBL29375817 0.85 KDM4E (0.61) DPP4ALDH1A1KDM4EPOLBMAPT
SCHEMBL5480089 0.84 KDM4E (0.59) DPP4ALDH1A1KDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL6175383 0.82 KDM4E (0.58) DPP4ALDH1A1KDM4EPOLBMAPT
SCHEMBL15780138 0.82 DPP4 (0.53) DPP4ALDH1A1KDM4EPOLBMAPT
SCHEMBL3816637 0.79 DPP4 (1.00) DPP4
SCHEMBL13347175 0.79 DPP4 (0.76) DPP4FAPDPP7
SCHEMBL3816645 0.79 DPP4 (1.00) DPP4
SCHEMBL2386976 0.78 ALDH1A1 (0.86) ALDH1A1TSHRHPGDSMN1; SMN2LMNA
SCHEMBL1826063 0.78 ALDH1A1 (0.86) ALDH1A1TSHRHPGDSMN1; SMN2LMNA

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-2005047297-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2005-05-26 WO disclosed