SCHEMBL11265836

SCHEMBL11265836

N=C(N)NC(=N)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 14/20 0.63
F2 P00734 2/20 0.48
F10 P00742 2/20 0.48
PRSS1 P07477 2/20 0.48
F7 P08709 2/20 0.48
MRGPRX1 Q96LB2 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRSS2 P07478 1/20 0.45
F3 P13726 1/20 0.45
PRSS3 P35030 1/20 0.45
POLB P06746 1/20 0.44
UBE2N P61088 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11264325 0.90 C5AR1 (0.60) C5AR1F2F10PRSS1F7
SCHEMBL11595438 0.89 C5AR1 (0.69) C5AR1F2F10PRSS1F7
Hydrochloric Acid SCHEMBL11258213 0.89 C5AR1 (0.59) C5AR1F2F10PRSS1F7
Hydrochloric Acid SCHEMBL11596870 0.88 C5AR1 (0.67) C5AR1F2F10PRSS1F7
SCHEMBL11276150 0.87 C5AR1 (0.60) C5AR1F2F10PRSS1F7
SCHEMBL11141513 0.87 C5AR1 (0.60) C5AR1F2F10PRSS1F7
SCHEMBL11280329 0.87 C5AR1 (0.47) C5AR1F2F10PRSS1F7
SCHEMBL11283867 0.86 C5AR1 (0.58) C5AR1F2F10PRSS1F7
SCHEMBL11596780 0.84 C5AR1 (0.62) C5AR1F2F10PRSS1F7
SCHEMBL11279359 0.84 C5AR1 (0.56) C5AR1F2F10PRSS1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed