SCHEMBL20056747

SCHEMBL20056747

C=CC(CCCNC)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.36
PAOX Q6QHF9 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
EPHX1 P07099 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
SCHEMBL23030247 0.78 KISS1R (0.33) KISS1RPAOXEPHX1
SCHEMBL19935801 0.70 EPHX1 (0.41) KISS1RPAOXHTR2AHRH1EPHX1
SCHEMBL19566124 0.70 KISS1R (0.36) KISS1RPAOXHTR2AHRH1EPHX1
SCHEMBL24741439 0.69 KISS1R (0.33) KISS1REPHX1
SCHEMBL24098189 0.68 HTR2A (0.34) KISS1RPAOXHTR2AHRH1EPHX1
SCHEMBL172994 0.68
SCHEMBL16221904 0.67
SCHEMBL21346194 0.67
SCHEMBL23621946 0.67 EPHX1 (0.42) PAOXHTR2AHRH1EPHX1
SCHEMBL22867561 0.65 KISS1R (0.44) KISS1RHTR2AHRH1EPHX1

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
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed