SCHEMBL8305420

SCHEMBL8305420

N=C(N)c1ccc(CC(=O)NCCCNC(=O)[C@@H]2CCCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.47
ST14 Q9Y5Y6 1/20 0.47
HTR2C P28335 4/20 0.45
HTR2B P41595 2/20 0.45
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.42
HDAC1 Q13547 1/20 0.41

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
SCHEMBL8809131 0.83 HTR2C (0.64) HTR2CHTR2BKDM4EF2HDAC1
SCHEMBL8305423 0.83 PRCP (0.47) PRCPST14HTR2CHTR2BITGB3
Hydrochloric Acid SCHEMBL5900838 0.82 HTR2C (0.62) HTR2CHTR2BKDM4EF2HDAC1
Hydrochloric Acid SCHEMBL5900833 0.82 HTR2C (0.62) HTR2CHTR2BKDM4EF2HDAC1
SCHEMBL8548940 0.77 PRCP (0.62) PRCPHTR2CHTR2BKDM4E
SCHEMBL6606024 0.76 F2 (0.61) ST14HTR2CHTR2BF2
SCHEMBL23840789 0.72 F2 (0.72) F2
SCHEMBL10709444 0.70 MEN1 (0.60) PRCPHTR2CHTR2B
SCHEMBL10706722 0.70 MEN1 (0.60) PRCPHTR2CHTR2B
SCHEMBL5498791 0.70 PRCP (0.68) PRCPHTR2CHTR2BKDM4E

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-0944618-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-09-29 EP disclosed
WO-1998024783-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1998-06-11 WO disclosed