SCHEMBL7180743

SCHEMBL7180743

NC(=NCCSCc1ccccn1)NCCCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.37
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL7178167 0.90 HRH4 (0.41) HRH2EBPSIGMAR1HRH4HRH3
SCHEMBL7287614 0.87 HRH2 (0.47) HRH2HRH4
SCHEMBL7287548 0.87 HRH2 (0.47) HRH2HRH4
SCHEMBL7179013 0.87 HRH2 (0.42) HRH2EBPSIGMAR1HRH4HRH3
SCHEMBL9865989 0.86 EBP (0.38) EBPSIGMAR1HRH4HRH3
SCHEMBL7174497 0.85 HRH4 (0.39) HRH2EBPSIGMAR1HRH4HRH3
SCHEMBL9876542 0.85 HRH4 (0.39) HRH2EBPSIGMAR1HRH4HRH3
SCHEMBL7175112 0.85 HRH2 (0.38) HRH2EBPSIGMAR1HRH4HRH3
SCHEMBL8581370 0.85 HRH4 (0.38) HRH2EBPSIGMAR1HRH4HRH3
SCHEMBL9866789 0.85 CYP1A2 (0.38) HRH2EBPSIGMAR1HRH4HRH3

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
EP-0655914-B1 Use of Histamine-2 agonists for treatment of sexual dysfunction NAHOUM CESAR ROBERTO DIAS (BR) 2003-02-26 EP disclosed
EP-0655914-A4 NOVEL COMPOSITIONS. NAHOUM CESAR ROBERTO DIAS (BR) 1998-04-22 EP disclosed
EP-0655914-A1 NOVEL COMPOSITIONS NAHOUM, Cesar Roberto Dias (BR) 1995-06-07 EP disclosed
WO-1994004120-A2 METHODS OF TREATING SEXUAL DYSFUNCTION IN ANIMALS WITH AND H AGONIST NAHOUM CESAR ROBERTO DIAS (BR) 1994-03-03 WO disclosed
US-4013659-A CERTAIN N,N'-DISUBSTITUTED GUANIDINE COMPOUNDS AND THEIR USE SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed