SCHEMBL8548940

SCHEMBL8548940

N=C(N)NCCCNC(=O)[C@@H]1CCCN1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.62
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
HTR2C P28335 4/20 0.42
HTR2B P41595 2/20 0.42
TLR2 O60603 2/20 0.41
ALB P02768 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TERT O14746 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
SCHEMBL5498791 0.83 PRCP (0.68) PRCPNOS2HTR2CHTR2BTLR2
SCHEMBL8548319 0.83 PRCP (0.68) PRCPNOS2HTR2CHTR2BTLR2
SCHEMBL15329272 0.82 PRCP (0.70) PRCPNOS2HTR2CHTR2BTLR2
SCHEMBL29808626 0.82 PRCP (0.46) PRCPNOS2NOS3NOS1HTR2C
SCHEMBL6478315 0.81 PRCP (0.69) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL21585404 0.81 PRCP (0.69) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL6485869 0.81 PRCP (0.69) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL17711236 0.81 MEN1 (0.47) PRCPNOS2NOS3NOS1DPP7
SCHEMBL8759336 0.81 MEN1 (0.47) PRCPNOS2NOS3NOS1DPP7
SCHEMBL31487414 0.81 MEN1 (0.47) PRCPNOS2NOS3NOS1DPP7

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-0874841-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR B2 ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-11-04 EP disclosed
WO-1997024349-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-07-10 WO disclosed