SCHEMBL7564449

SCHEMBL7564449

COC(=O)Cc1c(OC(=O)c2ccc(NC(=N)N)cc2)ccc2cc(C(=N)N)ccc12.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 9/20 0.44
CHRM1 known ✓ P11229 1/20 0.36
DRD2 known ✓ P14416 1/20 0.36
ADRA2B known ✓ P18089 1/20 0.36
ADRA2C known ✓ P18825 1/20 0.36
SLC6A4 known ✓ P31645 1/20 0.36
ADRA1A known ✓ P35348 1/20 0.36
DRD3 known ✓ P35462 1/20 0.36
HTR3A known ✓ P46098 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
GHSR known ✓ Q92847 1/20 0.36
FTO Q9C0B1 1/20 0.45
PLAU P00749 14/20 0.44
PRSS1 P07477 11/20 0.44
PLG P00747 10/20 0.44
PLAT P00750 7/20 0.44
KLKB1 P03952 6/20 0.44
KLK1 P06870 6/20 0.43
F10 P00742 3/20 0.43
C1R P00736 2/20 0.43

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
SCHEMBL7562225 0.92 FTO (0.46) FTOPLAUPRSS1PLGF2
Hydrochloric Acid SCHEMBL7562340 0.92 FTO (0.46) FTOPLAUPRSS1PLGF2
SCHEMBL7562640 0.88 FTO (0.46) FTOPLAUPRSS1PLGF2
Hydrochloric Acid SCHEMBL7565395 0.87 FTO (0.45) FTOPLAUPRSS1PLGF2
SCHEMBL20008658 0.85 PRSS1 (0.47) FTOPLAUPRSS1PLGF2
SCHEMBL7563090 0.85 FTO (0.48) FTOPLAUPRSS1PLGF2
SCHEMBL7563955 0.83 FTO (0.48) FTOPLAUPRSS1PLGF2
SCHEMBL7561463 0.83 PRSS1 (0.69) FTOPRSS1F2KLKB1KLK1
SCHEMBL7564853 0.81 PLAU (0.43) FTOPLAUPRSS1PLGF2
Hydrochloric Acid SCHEMBL7564878 0.80 PRSS1 (0.44) PLAUPRSS1PLGF2PLAT

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-0802179-B1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO LTD (JP) 2002-08-21 EP disclosed
US-5885990-A FIBRINOLYSIS PROMOTING ACTION; THROMBOLYSIS ACTION TORII PHARMACEUTICAL CO., LTD. (JP) 1999-03-23 US disclosed
EP-0802179-A1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO., LTD. (JP) 1997-10-22 EP disclosed