SCHEMBL8499875

SCHEMBL8499875

[NH]C(=O)N1CCNCC1c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
PLD1 Q13393 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HHAT Q5VTY9 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16796971 0.88 RIPK1 (0.40) RIPK1PLD1CHRNB2CHRNB4CHRNA3
SCHEMBL5321655 0.86 RIPK1 (0.40) RIPK1PLD1CHRNB2CHRNB4CHRNA3
SCHEMBL4075349 0.81 HSD11B1 (0.45) RIPK1SIGMAR1PRMT5WDR77
SCHEMBL29773951 0.80 GPR119 (0.45) RIPK1PRMT5WDR77L3MBTL1
SCHEMBL27868891 0.80 GPR119 (0.45) RIPK1PRMT5WDR77L3MBTL1
SCHEMBL1434923 0.80 HTR2C (0.40) RIPK1HTR7SIGMAR1HTR2AHTR2C
SCHEMBL28938508 0.80 HSD11B1 (0.40) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8496002 0.79 DPP4 (0.45) RIPK1TAAR1SIGMAR1HTR2AHTR2C
SCHEMBL7668457 0.78 SIGMAR1 (0.34) RIPK1PLD1CHRNB2CHRNB4CHRNA3
SCHEMBL6190053 0.76 SIGMAR1 (0.43) RIPK1PLD1CHRNB2CHRNB4CHRNA3

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
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed