SCHEMBL7656360

SCHEMBL7656360

COc1ccc(-c2ccc(C(=O)NC(C)C(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1.CS(=O)(=O)O

nearest known ligand 0.69

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 12)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 18/20 0.69
F10 P00742 18/20 0.69
F7 P08709 18/20 0.69
F3 P13726 16/20 0.69
PLG P00747 8/20 0.69
PLAU P00749 3/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
F9 P00740 2/20 0.55
F11 P03951 2/20 0.55
PLAT P00750 1/20 0.53

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
SCHEMBL7677422 0.97 F2 (0.73) F2F10F7F3PLG
SCHEMBL7656370 0.91 F2 (0.58) F2F10F7F3PLG
SCHEMBL7663333 0.90 F2 (0.69) F2F10F7F3PLG
SCHEMBL7662435 0.90 F7 (0.56) F2F10F7F3PLG
SCHEMBL7658053 0.88 F3 (0.67) F2F10F7F3PLG
SCHEMBL7666018 0.86 F2 (0.73) F2F10F7F3PLG
SCHEMBL7656689 0.86 F7 (0.59) F2F10F7F3PLG
SCHEMBL7657671 0.85 F7 (0.93) F2F10F7F3PLG
SCHEMBL7661746 0.85 F2 (0.59) F2F10F7F3PLG
SCHEMBL7653350 0.84 F7 (0.57) F2F10F7F3PLG

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