SCHEMBL23905693

SCHEMBL23905693

CCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(=O)NC1CC1)C(C)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DPP4 P27487 1/20 0.33
CYP2C9 P11712 3/20 0.32
CYP2C8 P10632 2/20 0.32
RORC P51449 2/20 0.32
HPGDS O60760 1/20 0.32
ABHD12 Q8N2K0 1/20 0.32
IDO1 P14902 1/20 0.32
MTOR P42345 2/20 0.31
GRIN2B Q13224 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABHD6 Q9BV23 1/20 0.31

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
SCHEMBL23905616 0.88 DPP4 (0.36) GABRA5CNR2CNR1PTGS1PTGS2
SCHEMBL23905374 0.78 CFTR (0.33) GABRA5CYP2C9IDO1CYP3A4
SCHEMBL23905533 0.78 CFTR (0.33) GABRA5CYP2C9IDO1CYP3A4
SCHEMBL23905375 0.77 CFTR (0.33) CYP2C9IDO1
SCHEMBL26526016 0.77 CFTR (0.32) CYP2C9IDO1
SCHEMBL23195890 0.77 CFTR (0.33) CNR1CYP2C9IDO1
SCHEMBL24986093 0.77 CFTR (0.41) CYP2C9RORCIDO1MTORCYP3A4
SCHEMBL26526018 0.76 CFTR (0.33) CNR1CYP2C9IDO1
SCHEMBL23905407 0.74 CFTR (0.33) PTGS2CYP3A4
SCHEMBL23905581 0.74 CFTR (0.33) PTGS2CYP3A4

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed