SCHEMBL11325487

SCHEMBL11325487

CNC(=S)NCCNCCc1ocnc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
QPCT Q16769 3/20 0.33
MTNR1B P49286 2/20 0.32
MTNR1A P48039 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11311333 0.84 CA1 (0.38) LMNAKDM4EALDH1A1GAA
SCHEMBL11310375 0.83 HRH2 (0.35) HRH2HRH4HRH3LMNAKDM4E
SCHEMBL11323782 0.81 HRH2 (0.36) HRH2HRH4HRH3LMNAKDM4E
SCHEMBL11356887 0.79 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL11325609 0.76 HRH2 (0.35) HRH2HRH4HRH3LMNAKDM4E
SCHEMBL11320928 0.76 CA12 (0.36) LMNAKDM4EALDH1A1TDP1
SCHEMBL11365036 0.75 LMNA (0.41) HRH2HRH4LMNAKDM4EQPCT
SCHEMBL11325484 0.71 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL11324045 0.70 MTNR1B (0.39) HRH2HRH4HRH3LMNAKDM4E
SCHEMBL11322084 0.70 TERT (0.45) HRH2HRH4HRH3LMNAKDM4E

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