SCHEMBL3365587

SCHEMBL3365587

COc1cc2c(C(=O)N3CCc4ccccc4C3)cnc(CN)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PDE10A Q9Y233 1/20 0.49
HPGD P15428 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL3365541 0.86 DPP4 (0.56) DPP4KDM4EMAPTHTTNPSR1
SCHEMBL3365200 0.84 DPP4 (0.53) DPP4KDM4EMAPTHSD17B10KMT2A
SCHEMBL3364123 0.84 KDM4E (0.48) KDM4EMAPTHTTNPSR1GPR55
Hydrochloric Acid SCHEMBL3362385 0.83 DPP4 (0.54) DPP4KDM4EMAPTHSD17B10KMT2A
SCHEMBL7720666 0.82 DPP4 (0.61) DPP4HSD17B10KMT2AHPGDGAA
Hydrochloric Acid SCHEMBL3362783 0.81 DPP4 (0.62) DPP4KMT2AHPGDGAAMEN1
SCHEMBL3363962 0.78 DPP4 (0.60) DPP4KDM4EMAPTHTTNPSR1
Hydrochloric Acid SCHEMBL3362014 0.77 DPP4 (0.61) DPP4KDM4EMAPTHTTNPSR1
SCHEMBL22340612 0.74 HTT (0.68) KDM4EMAPTHTTNPSR1GPR55
SCHEMBL3361149 0.73 MAPT (0.46) DPP4KDM4EMAPTHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed