SCHEMBL10958740

SCHEMBL10958740

CCOc1cccnc1CSCCN

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
GRM5 P41594 4/20 0.40
SLC6A2 P23975 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE5A O76074 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIF11 P52732 1/20 0.35
CBFB Q13951 1/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AOC3 Q16853 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL10733322 0.86 L3MBTL1 (0.43) L3MBTL1PDE5ACYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL11191656 0.82 GRM5 (0.43) L3MBTL1GRM5ALDH1A1PDE5AHTT
SCHEMBL11218097 0.81 GRM5 (0.42) L3MBTL1GRM5ALDH1A1PDE5ACBFB
SCHEMBL8355672 0.80 LMNA (0.44) L3MBTL1GRM5ALDH1A1HTTKMT2A
SCHEMBL30554705 0.80 ALDH1A1 (0.47) L3MBTL1GRM5SLC6A2ALDH1A1PDE5A
SCHEMBL17778295 0.80 ALDH1A1 (0.47) L3MBTL1GRM5SLC6A2ALDH1A1PDE5A
SCHEMBL11727508 0.79 CYP1A2 (0.44) L3MBTL1ALDH1A1PDE5ACYP1A2CYP3A4
SCHEMBL10741588 0.79 L3MBTL1 (0.49) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8355668 0.78 LMNA (0.39) GRM5HTTKMT2AMEN1LMNA
SCHEMBL11419612 0.78 L3MBTL1 (0.44) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4510309-A ANTISECRETORY AND ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1985-04-09 US disclosed
US-4471122-A Thiadiazole histamine H2 -antagonists BRISTOL-MYERS COMPANY (US) 1984-09-11 US disclosed
EP-0099121-A2 Pharmaceutical compositions Bristol-Myers Company (US) 1984-01-25 EP disclosed
US-4426526-A HISTAMINE ANTAGONISTS, ANTIINFLAMMATORY, ANTISECRETORY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-01-17 US disclosed
US-4394508-A ANTIULCER AND ANTISECRETORY AGENTS; HISTAMINE ANTAGONIST BRISTOL-MYERS COMPANY (US) 1983-07-19 US disclosed
US-4380639-A ANTIULCER AND ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4380638-A ANTIULCER AND ANTISECRETORY AGENTS; DERIVATIVES OF 3-AMINO-4-HET-A BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4374248-A ANTIHISTAMINES, ANTIULCER BRISTOL-MYERS COMPANY (US) 1983-02-15 US disclosed
US-4289876-A HISTAMINE H2 RECEPTOR BLOCKING AGENTS, ANTIULCER BRISTOL-MYERS COMPANY (US) 1981-09-15 US disclosed
US-4282363-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1981-08-04 US disclosed
US-4264608-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-04-28 US disclosed
US-4250316-A Pyridyl guanidine anti-ulcer agents BRISTOL-MYERS COMPANY (US) 1981-02-10 US disclosed
US-4215126-A HISTAMINE H2 BLOCKING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 US disclosed
US-4156727-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-29 US disclosed
US-4154838-A ANTIHISTAMINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4013659-A CERTAIN N,N'-DISUBSTITUTED GUANIDINE COMPOUNDS AND THEIR USE SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed