SCHEMBL8563697

SCHEMBL8563697

CC(C)(C)OC(=O)C1CNc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.61
MAPK1 P28482 5/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BUB1 O43683 1/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 1/20 0.36
FAAH O00519 1/20 0.35
MAPK10 P53779 1/20 0.35
RECQL P46063 1/20 0.34
NAMPT P43490 1/20 0.34
IDH1 O75874 1/20 0.33
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL8563701 1.00 EPHX2 (0.61) EPHX2MAPK1MTNR1AMTNR1BGAA
SCHEMBL8563699 1.00 EPHX2 (0.61) EPHX2MAPK1MTNR1AMTNR1BGAA
SCHEMBL28380235 0.87 EPHX2 (0.54) EPHX2MAPK1MTNR1AMTNR1BGAA
SCHEMBL2031526 0.85 EPHX2 (0.53) EPHX2MAPK1MTNR1AMTNR1BGAA
SCHEMBL8562535 0.85 EPHX2 (0.53) EPHX2MAPK1MTNR1AMTNR1BGAA
SCHEMBL8562539 0.85 EPHX2 (0.53) EPHX2MAPK1MTNR1AMTNR1BGAA
SCHEMBL8567784 0.81 MTNR1A (0.49) EPHX2MTNR1AMTNR1BMAPTBRD4
SCHEMBL8564153 0.81 EPHX2 (0.47) EPHX2MAPK1MTNR1AMTNR1BGAA
SCHEMBL431522 0.81 MTNR1A (0.49) EPHX2MTNR1AMTNR1BMAPTBRD4
SCHEMBL8567787 0.81 MTNR1A (0.49) EPHX2MTNR1AMTNR1BMAPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527339-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof Abbott Laboratories (US) 2012-11-28 EP disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed