SCHEMBL7659217

SCHEMBL7659217

COc1ccc(-c2ccc(C(=O)NCC(C)(C)CO)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)n1.CS(=O)(=O)O

nearest known ligand 0.82

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 11)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 6/20 0.82
F7 P08709 20/20 0.82
F9 P00740 9/20 0.82
F10 P00742 8/20 0.82
F11 P03951 5/20 0.82
PRSS1 P07477 5/20 0.82
PRSS2 P07478 5/20 0.82
PRSS3 P35030 5/20 0.82
PLAU P00749 3/20 0.82
F3 P13726 4/20 0.51
PLG P00747 2/20 0.51

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
SCHEMBL7657424 0.97 F7 (0.87) F7F9F10F2F11
SCHEMBL7654689 0.94 F7 (0.82) F7F9F10F2F11
SCHEMBL7660145 0.94 F7 (0.93) F7F9F10F2F11
SCHEMBL7659230 0.92 F7 (0.71) F7F9F10F2F11
SCHEMBL7659224 0.91 F7 (0.80) F7F9F10F2F11
SCHEMBL7856217 0.91 F7 (0.82) F7F9F10F2F11
SCHEMBL7658090 0.91 F7 (0.82) F7F9F10F2F11
SCHEMBL7852905 0.91 F7 (0.87) F7F9F10F2F11
SCHEMBL7658735 0.90 F7 (1.00) F7F9F10F2F11
SCHEMBL7658245 0.90 F7 (0.81) F7F9F10F2F11

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