SCHEMBL7723629

SCHEMBL7723629

COc1cc2c(NC(=O)N3CCCCC3c3ccccn3)cnc(CN)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HTT P42858 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL7716807 0.72 DPP4 (0.60) DPP4LMNA
SCHEMBL7720720 0.72 DPP4 (0.59) DPP4RAB9ALMNASMN1; SMN2
SCHEMBL7716813 0.71 DPP4 (0.53) DPP4
SCHEMBL8360050 0.71 DPP4 (0.61) DPP4KMT2ASMN1; SMN2
SCHEMBL3361967 0.69 DPP4 (0.63) DPP4KMT2ASMN1; SMN2
SCHEMBL3362038 0.68 DPP4 (0.57) DPP4HTTSMN1; SMN2MAPT
SCHEMBL29504572 0.68 PRMT5 (0.55) PRMT5WDR77NPC1RAB9AGPBAR1
SCHEMBL31430923 0.68 PRMT5 (0.55) PRMT5WDR77NPC1RAB9AGPBAR1
SCHEMBL3363173 0.67 DPP4 (0.61) DPP4
SCHEMBL3361751 0.66 PRMT5 (0.56) PRMT5WDR77NPC1RAB9AGPBAR1

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