SCHEMBL11527129

SCHEMBL11527129

CCCc1[nH]cnc1CCCNC(=N)NC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.34
XDH P47989 4/20 0.33
HRH4 Q9H3N8 4/20 0.32
HRH3 Q9Y5N1 2/20 0.32
EPHX1 P07099 1/20 0.32
HRH1 P35367 1/20 0.32
F10 P00742 1/20 0.31

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
SCHEMBL11522698 0.95 XDH (0.36) HRH2XDHHRH4HRH3EPHX1
SCHEMBL11524957 0.94 XDH (0.36) HRH2XDHHRH4HRH3EPHX1
SCHEMBL11525284 0.93 XDH (0.36) HRH2XDHEPHX1
SCHEMBL11523503 0.93 XDH (0.36) HRH2XDHEPHX1
SCHEMBL11526556 0.93 XDH (0.36) HRH2XDHEPHX1
SCHEMBL11523360 0.93 HRH2 (0.34) HRH2XDHHRH4HRH3HRH1
SCHEMBL11526828 0.93 XDH (0.32) XDH
SCHEMBL11528372 0.89 XDH (0.37) HRH2XDHEPHX1
SCHEMBL11523245 0.88 XDH (0.36) HRH2XDHEPHX1
SCHEMBL11525635 0.87 XDH (0.36) XDHEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166860-A TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA WILLIAM H. RORER, INC. (US) 1979-09-04 US disclosed