SCHEMBL4614256

SCHEMBL4614256

c1ccc2c(c1)CCNC2[C]1Oc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.59
GAA P10253 2/20 0.57
RECQL P46063 1/20 0.53
GID4 Q8IVV7 1/20 0.49
MAPT P10636 2/20 0.46
SLC22A1 O15245 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5345151 0.82 DRD1 (0.40) PRCPGAANPSR1MEN1KMT2A
SCHEMBL1668148 0.74 PRCP (1.00) PRCPGAARECQLGID4SLC22A1
SCHEMBL325083 0.74 PRCP (1.00) PRCPGAARECQLGID4SLC22A1
SCHEMBL30721685 0.74 PRCP (1.00) PRCPGAARECQLGID4SLC22A1
SCHEMBL29478499 0.74 PRCP (1.00) PRCPGAARECQLGID4SLC22A1
SCHEMBL327233 0.74 PRCP (1.00) PRCPGAARECQLGID4SLC22A1
SCHEMBL12046710 0.74 PRCP (1.00) PRCPGAARECQLGID4SLC22A1
SCHEMBL1694774 0.73 PRCP (0.96) PRCPGAARECQLGID4SLC22A1
SCHEMBL1694744 0.73 PRCP (0.96) PRCPGAARECQLGID4MEN1
SCHEMBL19610875 0.73 PRCP (0.96) PRCPGAARECQLGID4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495009-B1 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-03-12 EP claimed
US-6878706-B1 Cyanamides useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-04-12 US claimed
EP-1495009-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-12 EP claimed
WO-2003086325-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 WO claimed
EP-1495009-B1 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-03-12 EP disclosed
US-6878706-B1 Cyanamides useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-04-12 US disclosed
EP-1495009-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-12 EP disclosed
WO-2003086325-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed