SCHEMBL30157724

SCHEMBL30157724

CC(C)c1ccc(CN2C(=O)CCC2CC(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ AGTR2 P50052 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL30157521 0.88 KMT2A (0.47) DRD4TSHRALOX15CYP2C19CYP3A4
SCHEMBL30157372 0.88 TSHR (0.44) DRD4TSHRALOX15CYP2D6CYP2C19
SCHEMBL30157947 0.85 DRD4 (0.41) DRD4TSHRALOX15CYP2D6CYP2C19
SCHEMBL30158636 0.84 PKM (0.37) TSHRALOX15PKMCYP2D6CYP2C19
SCHEMBL30157856 0.83 CYP3A4 (0.43) DRD4CYP2D6CYP2C19CYP3A4GFER
SCHEMBL30158099 0.82 P2RX7 (0.47) TSHRALOX15CYP2D6CYP2C19CYP3A4
SCHEMBL30158109 0.81 GFER (0.42) TSHRALOX15CYP3A4GFERFAAH
SCHEMBL30157641 0.79 SLC6A4 (0.48) TSHRPKMCYP2D6CYP2C19FAAH
SCHEMBL30157922 0.78 P2RX7 (0.48) TSHRALOX15CYP2D6CYP2C19CYP3A4
SCHEMBL30157797 0.78 P2RX7 (0.48) TSHRALOX15CYP2D6CYP2C19CYP3A4

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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