SCHEMBL5029645

SCHEMBL5029645

CC1(NCCCO)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
OPRL1 P41146 4/20 0.32

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
SCHEMBL11174518 0.86 DPP4 (0.37) DPP4OPRL1
SCHEMBL30142446 0.80 TSHR (0.33) DPP4OPRL1
SCHEMBL11598387 0.78 GRIN2D (0.41) DPP4OPRL1
SCHEMBL9207124 0.77 EPHX1 (0.39)
SCHEMBL8508675 0.77 EPHX1 (0.39)
SCHEMBL9801708 0.76 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL9801405 0.76 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL2563796 0.75 DPP4 (0.40) DPP4OPRL1
SCHEMBL353831 0.75 DPP4 (0.34) DPP4
SCHEMBL21520807 0.75 DPP4 (0.34) DPP4

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-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP claimed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO claimed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed