SCHEMBL7657969

SCHEMBL7657969

CC(C)C(NC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1)C(=O)O.CS(=O)(=O)O

nearest known ligand 0.67

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 8)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 15/20 0.67
F3 P13726 19/20 0.67
F7 P08709 15/20 0.67
F10 P00742 15/20 0.67
PRSS1 P07477 1/20 0.67
PRSS2 P07478 1/20 0.67
PRSS3 P35030 1/20 0.67
PLG P00747 8/20 0.54

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
SCHEMBL7657272 0.96 F7 (0.61) F3F7F2F10PRSS1
SCHEMBL7654127 0.96 F3 (0.71) F3F7F2F10PRSS1
SCHEMBL7654275 0.93 F3 (0.65) F3F7F2F10PRSS1
SCHEMBL7665747 0.93 F3 (0.65) F3F7F2F10PRSS1
SCHEMBL7651405 0.93 F3 (0.65) F3F7F2F10PRSS1
SCHEMBL7663211 0.93 F3 (0.65) F3F7F2F10PRSS1
SCHEMBL7663446 0.93 F3 (0.66) F3F7F2F10PRSS1
SCHEMBL7660321 0.91 F3 (0.69) F3F7F2F10PRSS1
SCHEMBL7660284 0.91 F3 (0.69) F3F7F2F10PRSS1
SCHEMBL7665047 0.91 F3 (0.71) F3F7F2F10PRSS1

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
US-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed