SCHEMBL8887789

SCHEMBL8887789

[CH2]C(CC)Oc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.39
PPARG P37231 3/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
EPHX2 P34913 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
P2RX3 P56373 1/20 0.34
NR3C2 P08235 2/20 0.33
AR P10275 1/20 0.33
NR3C1 P04150 3/20 0.33
AAK1 Q2M2I8 2/20 0.33
SLC6A2 P23975 2/20 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
SCHEMBL22621594 0.78 RXRA (0.50) IDO1MRGPRX4PPARGRXRARXRB
SCHEMBL8889564 0.78 MRGPRX4 (0.39) IDO1MRGPRX4PPARGRXRARXRB
SCHEMBL8889567 0.78 MRGPRX4 (0.39) IDO1MRGPRX4PPARGRXRARXRB
SCHEMBL12967974 0.75 MRGPRX4 (0.44) IDO1MRGPRX4PPARGRXRARXRB
SCHEMBL12968476 0.74 MRGPRX4 (0.43) IDO1MRGPRX4RXRARXRBRXRG
SCHEMBL12968030 0.74 MRGPRX4 (0.43) IDO1MRGPRX4RXRARXRBRXRG
SCHEMBL24305899 0.72 MRGPRX4 (0.47) IDO1MRGPRX4RXRARXRBRXRG
SCHEMBL13347573 0.72 NR3C2 (0.49) IDO1NR3C2NR3C1
SCHEMBL12958346 0.72 MRGPRX4 (0.41) IDO1MRGPRX4RXRARXRBRXRG
SCHEMBL15473206 0.71 XDH (0.47) IDO1MRGPRX4DRD2AAK1SLC6A2

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-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed