SCHEMBL28535518

SCHEMBL28535518

O=C1CCOC(c2ccc(C(F)(F)F)cc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HTR2C P28335 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
Flumetramide SCHEMBL258835 0.85 PRKAB2 (0.43) HTR1APARP1PARP2HTR2C
Flumetramide SCHEMBL9576017 0.85 PRKAB2 (0.43) HTR1APARP1PARP2HTR2C
SCHEMBL25177356 0.81 DDB1 (0.40) DDB1CRBN
SCHEMBL25181459 0.80 TSHR (0.44) HTR1ADDB1CRBN
SCHEMBL1760973 0.75 HTR1A (0.68) HTR1A
SCHEMBL22053358 0.75 HTR1A (0.68) HTR1A
SCHEMBL10242078 0.75 HTR2C (0.41) PARP1PARP2HTR2C
SCHEMBL5021639 0.75 HTR2C (0.41) PARP1PARP2HTR2C
Oxalic Acid SCHEMBL12520684 0.71 HTR1A (0.59) HTR1A
SCHEMBL8352445 0.70 TSHR (0.53) HTR2C

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
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN disclosed