SCHEMBL9316291

SCHEMBL9316291

Cc1cc(Br)ccc1N=C(NNC(=Nc1ccccc1C(F)(F)F)NC12CC3CC(CC(C3)C1)C2)NC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.33
EPHX1 P07099 3/20 0.33
RAC1 P63000 1/20 0.31
PAK1 Q13153 1/20 0.31
FAAH O00519 1/20 0.30
CNR2 P34972 1/20 0.30
PTGES O14684 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
SCHEMBL9316280 0.90 EPHX2 (0.40) EPHX2EPHX1FAAHCNR2
SCHEMBL9316317 0.87 RAC1 (0.39) EPHX2EPHX1RAC1PAK1
SCHEMBL9317615 0.75 SIGMAR1 (0.45) EPHX2EPHX1CNR2
SCHEMBL9316314 0.73 EPHX2 (0.36) EPHX2EPHX1CNR2
SCHEMBL9316509 0.72 EPHX2 (0.34) EPHX2RAC1PAK1FAAHCNR2
SCHEMBL8952180 0.69 SIGMAR1 (0.53) EPHX2FAAHCNR2
SCHEMBL6719600 0.68 SIGMAR1 (0.54) EPHX2FAAHCNR2
SCHEMBL6717118 0.67 SIGMAR1 (0.57) EPHX2RAC1PAK1FAAH
SCHEMBL8952043 0.66 SIGMAR1 (0.56) EPHX1
SCHEMBL8952040 0.66 SIGMAR1 (0.56) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532642-A4 1994-04-27 EP claimed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP claimed
WO-1991018868-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO claimed