SCHEMBL25294641

SCHEMBL25294641

CC(C)(CBr)Cc1cc2[nH]cc(CC=O)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.40
MPO P05164 2/20 0.33
HTR1A P08908 2/20 0.31
HTR1D P28221 3/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2B P41595 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL4601401 0.78 GPR84 (0.65) GPR84MPOHTR1AHTR2AHTR2C
SCHEMBL25257202 0.73 MTNR1A (0.39) MPOHTR1AHTR1DHTR1BHTR2B
SCHEMBL25256346 0.69 GPR84 (0.51) GPR84
SCHEMBL5793206 0.66 GPR84 (0.67) GPR84MPOHTR1AHTR2AHTR2C
SCHEMBL2015074 0.64 HTR2A (0.44) GPR84MPOHTR1DHTR2AHTR2C
SCHEMBL9912222 0.64 GPR84 (0.67) GPR84HTR1AHTR1DHTR2AHTR2C
SCHEMBL17024241 0.64 CYP2A6 (0.58) GPR84HTR1AHTR1DHTR2AHTR2C
SCHEMBL24358682 0.63 GPR84 (0.71) GPR84MPOHTR1AHTR1DHTR2A
SCHEMBL26674798 0.61 GPR84 (0.49) GPR84MPOHTR1AHTR1DHTR2A
SCHEMBL4633747 0.61 MPO (0.68) GPR84MPOHTR1AHTR1DHTR2A

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-2023122093-A1 REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-29 WO disclosed