SCHEMBL7879946

SCHEMBL7879946

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(OCc3ccc(CN(C)C)cc3)cc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.35
AR P10275 4/20 0.35
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
ACHE P22303 1/20 0.32
ROCK2 O75116 1/20 0.32
CHUK O15111 1/20 0.32
INSR P06213 1/20 0.32
MAPK8 P45983 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
RHEB Q15382 1/20 0.32
MCHR1 Q99705 1/20 0.32
MAP2 P11137 1/20 0.32
MDM2 Q00987 1/20 0.32
LSS P48449 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
SCHEMBL7881398 0.92 MAOB (0.36) MAOBAR
SCHEMBL7882185 0.91 HRH3 (0.41) MAOBARACHERHEBMCHR1
SCHEMBL7881493 0.90 SLC6A2 (0.36) KITFLT3ROCK2CHUKINSR
SCHEMBL7877982 0.90 MAOB (0.37) MAOBARRHEB
Hydrochloric Acid SCHEMBL7881834 0.88 IDO1 (0.40) MAOBARFLT3RHEB
SCHEMBL7881155 0.88 MAOB (0.37) MAOBARRHEBMDM2
SCHEMBL7873536 0.87 MAP2 (0.37) MAOBKITFLT3ACHECHUK
SCHEMBL7884563 0.87 NEK2 (0.31) RHEB
SCHEMBL7885076 0.87 TDP1 (0.32) ARRHEB
Hydrochloric Acid SCHEMBL7873289 0.86 MAP2 (0.36) MAOBKITFLT3ACHECHUK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed