SCHEMBL20780314

SCHEMBL20780314

CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
CES2 O00748 1/20 0.34
ADRB1 P08588 1/20 0.32
MAPT P10636 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
IDO1 P14902 2/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
XPO1 O14980 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
SCHEMBL30527263 0.82 CES2 (0.33) CCR2CES2ADRB1MAPTRAPGEF4
SCHEMBL15693716 0.71 CES2 (0.38) CCR2CES2ADRB1MAPTRAPGEF4
SCHEMBL15693717 0.71 KDM1A (0.41) CCR2CES2ADRB1KDM1ARCOR1
SCHEMBL21020525 0.69 CES2 (0.34) CCR2CES2
SCHEMBL30527262 0.68 KDM1A (0.33) IDO1KDM1ARCOR1
SCHEMBL15693712 0.68 KDM1A (0.38) CCR2CES2ADRB1MAPTRAPGEF4
SCHEMBL440959 0.68 CES2 (0.58) CES2ADRB1MAPTRAPGEF4IDO1
SCHEMBL20076511 0.68 ITGB3 (0.34) CES2
SCHEMBL19102566 0.67 NOTUM (0.37) CCR2CES2ADRB1KDM1A
SCHEMBL17151050 0.67 NOTUM (0.37) CCR2CES2ADRB1KDM1A

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
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed