SCHEMBL28040142

SCHEMBL28040142

CCCCC1CC(NC2CC2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
DPP4 P27487 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
EPHX2 P34913 2/20 0.32
EPHX1 P07099 1/20 0.32
TLR4 O00206 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL5067770 0.79 DPP4 (0.35) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL6274182 0.78 GNAI3 (0.41) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL21409408 0.77 POLB (0.35) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL28037367 0.77 POLB (0.35) POLBHPGDDPP4TLR4MAPT
SCHEMBL3877432 0.77 DPP4 (0.37) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL18141878 0.76 POLB (0.45) POLBEPHX2MAPTTACR1
SCHEMBL5500987 0.75 DPP4 (0.33) POLBHPGDDPP4MAPT
SCHEMBL5222630 0.75 S1PR3 (0.40) L3MBTL1GNAI3GNAO1GNAI1DPP4
SCHEMBL20815439 0.74 KCNH2 (0.32) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL9905328 0.74 TACR1 (0.54) DRD4TACR1

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
CN-105085515-A Hydrazide compound as blood coagulation factor Xa inhibitor NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-11-25 CN disclosed