SCHEMBL11522698

SCHEMBL11522698

CCCCc1[nH]cnc1CCCNC(=N)NC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.36
HRH2 P25021 3/20 0.33
EPHX1 P07099 1/20 0.33
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SELP P16109 1/20 0.31
HRH1 P35367 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
SCHEMBL11524957 0.97 XDH (0.36) XDHHRH2EPHX1HRH4HRH3
SCHEMBL11526556 0.95 XDH (0.36) XDHHRH2EPHX1EPHX2KDM4E
SCHEMBL11525284 0.95 XDH (0.36) XDHHRH2EPHX1EPHX2KDM4E
SCHEMBL11523503 0.95 XDH (0.36) XDHHRH2EPHX1EPHX2KDM4E
SCHEMBL11527129 0.95 HRH2 (0.34) XDHHRH2EPHX1HRH4HRH3
SCHEMBL11528372 0.94 XDH (0.37) XDHHRH2EPHX1
SCHEMBL11523245 0.91 XDH (0.36) XDHHRH2EPHX1SELP
SCHEMBL11523360 0.91 HRH2 (0.34) XDHHRH2HRH4HRH3HRH1
SCHEMBL11523042 0.90 XDH (0.36) XDHEPHX1EPHX2KDM4ESELP
SCHEMBL11525635 0.90 XDH (0.36) XDHEPHX1EPHX2KDM4ESELP

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