SCHEMBL8993762

SCHEMBL8993762

N#Cc1ccc(CC(C(=O)N2CCCCC2)N2CCC(N)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.46
DPP7 Q9UHL4 4/20 0.46
DPP8 Q6V1X1 3/20 0.46
FAP Q12884 2/20 0.46
DPP9 Q86TI2 2/20 0.46
FPR1 P21462 4/20 0.46
FPR2 P25090 4/20 0.46
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 4/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
CTSC P53634 1/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX1 P07099 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8993873 0.79 FPR1 (0.41) DPP4DPP7DPP8FAPDPP9
SCHEMBL24322680 0.75 F10 (0.48) DPP4DPP7MEN1CYP3A4CYP2C19
SCHEMBL10615090 0.75 DPP4 (0.65) DPP4DPP7DPP8FAPDPP9
SCHEMBL7305245 0.75 DPP4 (0.65) DPP4DPP7DPP8FAPDPP9
SCHEMBL8390334 0.75 DPP4 (0.65) DPP4DPP7DPP8FAPDPP9
SCHEMBL4705596 0.75 KDM1A (0.51) MEN1CYP3A4CYP2C19KMT2ATSHR
Hydrochloric Acid SCHEMBL4757426 0.74 NPC1 (0.44) DPP4MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL4757424 0.74 NPC1 (0.44) DPP4MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL10615092 0.74 DPP4 (0.63) DPP4DPP7DPP8FAPDPP9
Hydrochloric Acid SCHEMBL8993841 0.74 DPP4 (0.63) DPP4DPP7DPP8FAPDPP9

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
US-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed