SCHEMBL11314656

SCHEMBL11314656

CNC(=S)NCCCNCc1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.42
HRH2 P25021 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM1A O60341 5/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MTNR1B P49286 1/20 0.36
MAOB P27338 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
KDM4C Q9H3R0 1/20 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
SCHEMBL11327163 0.90 QPCT (0.38) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL11326496 0.79 QPCT (0.40) QPCTHRH2HRH4HRH3SMN1; SMN2
SCHEMBL11323991 0.78 ALDH1A1 (0.48) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL11317330 0.77 QPCT (0.39) QPCTHRH2HRH4HRH3KDM1A
SCHEMBL11315843 0.77 HRH2 (0.43) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL11327125 0.76 QPCT (0.38) QPCTHRH2HRH4HRH3KDM1A
SCHEMBL11330032 0.75 HRH2 (0.38) QPCTHRH2HRH4HRH3SMN1; SMN2
SCHEMBL11317361 0.74 HRH2 (0.37) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL11314332 0.74 LMNA (0.35) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL11323755 0.73 CYP2C19 (0.42) SMN1; SMN2ALDH1A1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed