SCHEMBL7877971

SCHEMBL7877971

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(OCc3ccc(CN(C)C)cc3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
S1PR1 P21453 3/20 0.35
ROCK2 O75116 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.33
RHEB Q15382 1/20 0.33
CHUK O15111 1/20 0.32
INSR P06213 1/20 0.32
MAPK8 P45983 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NEK2 P51955 2/20 0.32
PLK1 P53350 2/20 0.32
LSS P48449 1/20 0.32
AURKA O14965 1/20 0.32
CDK2 P24941 1/20 0.32
TTK P33981 1/20 0.32
FFAR1 O14842 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
SCHEMBL7881500 0.92 MRGPRX4 (0.39) ROCK2MRGPRX4
SCHEMBL7879651 0.91 HRH3 (0.37) RXRARXRBRXRGS1PR1ROCK2
SCHEMBL7884319 0.90 RXRA (0.39) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL7878058 0.89 SLC6A4 (0.41) ROCK2RHEBSLC6A2SLC6A4LSS
Hydrochloric Acid SCHEMBL7873306 0.88 S1PR1 (0.40) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL7878064 0.88 FFAR1 (0.36) S1PR1SLC6A2SLC6A4NEK2PLK1
SCHEMBL7877789 0.87 RHEB (0.40) RXRARXRBRXRGROCK2MRGPRX4
SCHEMBL7882160 0.87 SLC6A2 (0.31) SLC6A2SLC6A4
SCHEMBL7885052 0.87 MRGPRX4 (0.32) S1PR1MRGPRX4SLC6A2SLC6A4NEK2
SCHEMBL7877445 0.87 RXRA (0.36) RXRARXRBRXRGS1PR1MRGPRX4

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