SCHEMBL8499162

SCHEMBL8499162

[NH]C(=O)N1CCNCC1c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
BRD4 O60885 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A9 P48067 1/20 0.37
LMNA P02545 2/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
PKM P14618 2/20 0.36
MITF O75030 1/20 0.36
NOD2 Q9HC29 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
SCHEMBL25250111 0.79 ALDH1A1 (0.44) POLBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8496002 0.78 DPP4 (0.45) POLBSMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL16644665 0.77 SLC6A9 (0.64) BRD4SLC6A9
SCHEMBL21105511 0.76 SLC6A9 (0.44) POLBRAB9ANPC1BRD4HTR2A
SCHEMBL7018542 0.74 SMN1; SMN2 (0.39) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3451778 0.74 LMNA (0.38) POLBSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL8499791 0.73 SRC (0.44) POLBRAB9AKDM4EALDH1A1MAPT
SCHEMBL8498489 0.72 DPP4 (0.41) HTR2AHTR2CHTR2B
SCHEMBL8499875 0.72 RIPK1 (0.40) KDM4EHTR2AHTR2CHTR2BGAA
SCHEMBL28325595 0.72 MAPT (0.41) POLBSMN1; SMN2KDM4EHTTMAPT

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