SCHEMBL11030624

SCHEMBL11030624

CCCCCN1[C]N=CCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.32
GNAO1 P09471 3/20 0.32
GNAI1 P63096 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TBXAS1 P24557 1/20 0.32
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TLR8 Q9NR97 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9044564 0.71 KCNH2 (0.38) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL90273 0.68 GNAI3 (0.34) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL9905528 0.68 GNAO1 (0.40) GNAI3GNAO1GNAI1KCNH2
SCHEMBL27465544 0.67 GNAI3 (0.37) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL27548581 0.67 GNAI3 (0.37) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL7287866 0.64 GNAO1 (0.34) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL8789042 0.63 GNAO1 (0.37) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL7026105 0.61
SCHEMBL1081412 0.61 GNAO1 (0.44) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL293030 0.60 GNAI3 (0.52) GNAI3GNAO1GNAI1KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042279-B1 N-ARYL-N'((1,4,5,6-TETRAHYDROPYRIMIDIN-2-YL) OR (4,5,6,7-TETRAHYDRO-1-H-1, 3-DIAZEPIN-2-YL)UREAS FOR INTESTINAL DISORDERS AND AS ANTIHYPERTENSIVES McNeilab, Inc. (US) 1985-11-13 EP disclosed
US-4466966-A N-aryl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ureas for intestinal disorders MCNEILAB, INC. (US) 1984-08-21 US disclosed
EP-0042279-A2 N-aryl-N'((1,4,5,6-tetrahydropyrimidin-2-yl) or (4,5,6,7-tetrahydro-1-H-1, 3-diazepin-2-yl)ureas for intestinal disorders and as antihypertensives McNeilab, Inc. (US) 1981-12-23 EP disclosed
US-4285948-A ADMINISTERING CARDIOTONIC AGENTS MCNEILAB, INC. (US) 1981-08-25 US disclosed