SCHEMBL7712665

SCHEMBL7712665

CC(C)C1CCc2ccccc2C=C1C(=O)NC(=N)N.CS(=O)(=O)O

nearest known ligand 0.33

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 10)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.33
F2 known ✓ P00734 1/20 0.32
LMNA P02545 2/20 0.33
GRM7 Q14831 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.33
MASP2 O00187 1/20 0.32

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
SCHEMBL7712802 0.86 MAOA (0.34) LMNAGRM7THRBTSHRPMP22
SCHEMBL7708558 0.83 MAOA (0.34) LMNATHRBTSHRPMP22HSD17B10
SCHEMBL7712668 0.81 MAOA (0.32) GRM7MAOAMAOB
SCHEMBL7714886 0.81 MTNR1A (0.33) MASP2F2
SCHEMBL7714497 0.80 GRM7 (0.33) LMNAGRM7MAOAMAOB
SCHEMBL7708904 0.78 GRM7 (0.32) GRM7
SCHEMBL7714804 0.77 HSD17B10 (0.35) LMNATHRBTSHRPMP22HSD17B10
SCHEMBL7712819 0.77 NPC1 (0.39) GRM7MAOAMAOB
SCHEMBL7385061 0.75 LMNA (0.34) LMNATHRBTSHRPMP22HSD17B10
SCHEMBL7714899 0.73 LMNA (0.32) LMNATHRBTSHRPMP22HSD17B10

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-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed