SCHEMBL6586017

SCHEMBL6586017

O=C([C@H]1CCCCN1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.57
DPP8 Q6V1X1 4/20 0.57
DPP9 Q86TI2 4/20 0.57
FAP Q12884 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HDAC2 Q92769 1/20 0.41
PARP1 P09874 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
KHK P50053 1/20 0.39

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
SCHEMBL10560644 1.00 DPP4 (0.57) DPP4DPP8DPP9FAPDPP7
SCHEMBL6586024 1.00 DPP4 (0.57) DPP4DPP8DPP9FAPDPP7
SCHEMBL13661462 0.98 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL1871830 0.98 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5435095 0.98 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5435102 0.98 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL488953 0.94 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL488954 0.94 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL1383434 0.94 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL10326191 0.92 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272468-B1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2004-11-17 EP disclosed
EP-1272468-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS Sanofi-Aventis (FR) 2003-01-08 EP disclosed
WO-2001074775-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-10-11 WO disclosed