SCHEMBL7354845

SCHEMBL7354845

N=C(N)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.55
CTSB P07858 1/20 0.55
HPGDS O60760 6/20 0.53
FCER2 P06734 2/20 0.51
MMP1 P03956 1/20 0.51
EPHX1 P07099 1/20 0.50
PPARG P37231 1/20 0.49
PARP1 P09874 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
MMP3 P08254 1/20 0.49
ELANE P08246 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL7354848 1.00 CAPN1 (0.55) CAPN1CTSBHPGDSFCER2MMP1
SCHEMBL1498340 0.90 MME (0.59)
SCHEMBL1498341 0.90 MME (0.59)
SCHEMBL9109075 0.86 HPGDS (0.56) CAPN1CTSBHPGDSFCER2MMP1
SCHEMBL19584939 0.86 MMP9 (0.56) CAPN1CTSBHPGDSFCER2MMP1
SCHEMBL6853867 0.86 HPGDS (0.56) CAPN1CTSBHPGDSFCER2MMP1
SCHEMBL15810862 0.83 CTSS (0.61) HPGDSFCER2MMP1EPHX1PPARG
SCHEMBL15743886 0.83 HPGDS (0.53) CAPN1CTSBHPGDSFCER2MMP1
SCHEMBL18403737 0.83 HPGDS (0.53) CAPN1CTSBHPGDSFCER2MMP1
SCHEMBL6248471 0.83 CTSS (0.61) HPGDSFCER2MMP1EPHX1PPARG

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
WO-1997033576-A1 CARBAMYL GUANIDINE AND AMIDINE PRODRUGS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-18 WO disclosed
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
EP-0513543-B1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE AG (DE) 1995-10-25 EP disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed
US-5264457-A Phenyl amidines sulfonamides useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-11-23 US disclosed
WO-1993016038-A1 PHENYL AMIDINES SULFONAMIDES USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-08-19 WO disclosed
EP-0513543-A1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE Aktiengesellschaft (DE) 1992-11-19 EP disclosed