SCHEMBL30158612

SCHEMBL30158612

O=C(O)CC1CCC(=O)N1Cc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.44
▸ HCRTR1 O43613 3/20 0.41
▸ HCRTR2 O43614 3/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ PTGER4 P35408 2/20 0.37
▸ PTGER3 P43115 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ KIF11 P52732 1/20 0.36

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
SCHEMBL30158699 0.87 ALDH1A1 (0.50) P2RX7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL30158611 0.87 ALDH1A1 (0.50) P2RX7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL30158686 0.82 MDM2 (0.38) P2RX7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL30158586 0.80 HCRTR2 (0.49) P2RX7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL31705306 0.79 KMT2A (0.48) P2RX7HCRTR1HCRTR2
SCHEMBL30158747 0.78 FFAR4 (0.43) P2RX7PDE2APTGER4PTGER3PTGER2
SCHEMBL30158802 0.78 P2RX7 (0.39) P2RX7HCRTR1HCRTR2TSHR
SCHEMBL30158884 0.78 P2RX7 (0.54) P2RX7ALDH1A1
SCHEMBL30158624 0.77 HCRTR1 (0.52) P2RX7HCRTR1HCRTR2
SCHEMBL30157534 0.76 ALDH1A1 (0.41) P2RX7ALDH1A1TSHRL3MBTL1

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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