SCHEMBL7175108

SCHEMBL7175108

N=C(NCCCc1c[nH]cn1)NCCSCc1ncccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC47A1 Q96FL8 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7174490 0.89 ALDH1A1 (0.32) SLC47A1ALDH1A1
SCHEMBL7179008 0.88 DAO (0.36) SLC47A1ALDH1A1
SCHEMBL8581367 0.88 SLC47A1 (0.31) SLC47A1
SCHEMBL7175054 0.86 TP53 (0.36) SLC47A1
SCHEMBL7176944 0.86 SLC47A1 (0.32) SLC47A1
SCHEMBL7182123 0.85 NAMPT (0.33) SLC47A1
SCHEMBL9866272 0.85
SCHEMBL11006155 0.84 ALDH1A1 (0.39) SLC47A1ALDH1A1
SCHEMBL7180733 0.83 LMNA (0.37) ALDH1A1
SCHEMBL7175112 0.83 HRH2 (0.38)

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