SCHEMBL7343610

SCHEMBL7343610

CS(=O)(=O)O.N=C(N)c1ccc2cc(OC(=O)c3ccc(OCc4ccccc4)cc3)ccc2c1

nearest known ligand 0.64

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 7/20 0.54
CHRM1 known ✓ P11229 1/20 0.53
DRD2 known ✓ P14416 1/20 0.53
ADRA2B known ✓ P18089 1/20 0.53
ADRA2C known ✓ P18825 1/20 0.53
SLC6A4 known ✓ P31645 1/20 0.53
ADRA1A known ✓ P35348 1/20 0.53
DRD3 known ✓ P35462 1/20 0.53
HTR3A known ✓ P46098 1/20 0.53
SLC6A3 known ✓ Q01959 1/20 0.53
GHSR known ✓ Q92847 1/20 0.53
MAOB known ✓ P27338 1/20 0.47
FTO Q9C0B1 1/20 0.64
F10 P00742 3/20 0.54
PRSS1 P07477 3/20 0.54
C1R P00736 2/20 0.54
KLK1 P06870 2/20 0.54
KLKB1 P03952 1/20 0.54
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 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
Methane SCHEMBL11282601 0.92 F2 (0.58) FTOF2F10PRSS1C1R
SCHEMBL10922456 0.89 FTO (0.74) FTOF2F10PRSS1C1R
SCHEMBL7339820 0.85 FTO (0.56) FTOF2F10PRSS1C1R
SCHEMBL7345696 0.83 FTO (0.70) FTOF2F10PRSS1C1R
SCHEMBL7332769 0.83 F10 (0.48) FTOF2F10PRSS1ITGB3
SCHEMBL7339708 0.82 PLAU (0.60) FTOF2F10PRSS1C1R
SCHEMBL7340875 0.82 FTO (0.74) FTOF2F10PRSS1C1R
SCHEMBL8756332 0.81 MAPT (0.60) ALDH1A1LMNAMAPTSLC6A3PARP10
SCHEMBL7338909 0.81 FTO (0.55) FTOF2F10PRSS1C1R
SCHEMBL7337750 0.81 F12 (0.71) FTOF2F10PRSS1C1R

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-0048433-B1 NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM TORII & CO., LTD. (JP) 1986-05-28 EP disclosed
US-4532255-A Amidine compounds and anticomplement agent comprising same TORII & CO., LTD. (JP) 1985-07-30 US disclosed
US-4454338-A 6-AMIDINO-2-NATHTHYL-4-GUANIDINOBENZOATE TORII & CO., LTD. (JP) 1984-06-12 US disclosed