SCHEMBL7180733

SCHEMBL7180733

N=C(NCCCc1c[nH]cn1)NCCSCc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
DAO P14920 1/20 0.34
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
APP P05067 1/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7179008 0.85 DAO (0.36) LMNAALDH1A1CYP1A2TSHRHRH4
SCHEMBL9867255 0.85 ALDH1A1 (0.37) LMNAALDH1A1CYP1A2TSHRMAPK1
SCHEMBL9876539 0.84 CYP1A2 (0.38) LMNAALDH1A1CYP1A2DAOHTT
SCHEMBL9865982 0.84 NPC1 (0.44) LMNAALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL9866779 0.84 CYP1A2 (0.41) LMNAALDH1A1CYP1A2MAPK1HTT
SCHEMBL7174490 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9866225 0.83 PSMB5 (0.46)
SCHEMBL7175108 0.83 SLC47A1 (0.31) ALDH1A1
SCHEMBL8581367 0.83 SLC47A1 (0.31)
SCHEMBL9866272 0.83

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