SCHEMBL7873932

SCHEMBL7873932

COc1cccc2cc(C(=O)N(C)C(=N)N)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.51
FLT3 P36888 2/20 0.51
IDO1 P14902 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 4/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 3/20 0.38

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
Hydrochloric Acid SCHEMBL7881429 0.99 HRH4 (0.50) HRH4FLT3IDO1MTNR1AMTNR1B
SCHEMBL7879834 0.94 HRH4 (0.47) HRH4FLT3IDO1MTNR1AMTNR1B
SCHEMBL7878082 0.86 BRD4 (0.39) HRH4FLT3TP53KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7873939 0.86 TP53 (0.38) HRH4FLT3IDO1MTNR1AMTNR1B
SCHEMBL7873374 0.85 HDAC3 (0.39) HRH4FLT3IDO1HDAC3HDAC1
Hydrochloric Acid SCHEMBL7882224 0.85 KDM4E (0.44) HRH4FLT3IDO1DRD2DRD3
Hydrochloric Acid SCHEMBL7881294 0.84 TP53 (0.37) HRH4FLT3IDO1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7878079 0.84 HDAC3 (0.38) HRH4FLT3IDO1HDAC3HDAC1
SCHEMBL7884333 0.84 HRH4 (0.36) HRH4FLT3IDO1DRD2DRD3
SCHEMBL7873722 0.83 GRIN2D (0.39) HRH4FLT3KDM4ETP53KMT2A

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
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
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed