SCHEMBL30157947

SCHEMBL30157947

CN(C(=O)CC1CCC(=O)N1Cc1ccc(Cl)nc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AGTR2 P50052 1/20 0.40
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30157372 0.86 TSHR (0.44) DRD4KMT2AMEN1ALOX15TSHR
SCHEMBL30157521 0.86 KMT2A (0.47) DRD4KMT2AMEN1ALOX15TSHR
SCHEMBL30157724 0.85 DRD4 (0.43) DRD4ALOX15TSHRAGTR2CYP3A4
SCHEMBL30158432 0.83 KMT2A (0.43) KMT2AMEN1ATMHDAC1HDAC2
SCHEMBL30157370 0.81 KMT2A (0.42) KMT2AMEN1ATMALOX15TSHR
SCHEMBL30157957 0.80 KMT2A (0.43) KMT2AMEN1ATMAGTR2CYP3A4
SCHEMBL30158109 0.79 GFER (0.42) KMT2AMEN1ALOX15TSHRCYP3A4
SCHEMBL30157856 0.78 CYP3A4 (0.43) DRD4CYP3A4CYP2D6CYP2C19GFER
SCHEMBL30158099 0.77 P2RX7 (0.47) KMT2AMEN1ALOX15TSHRCYP3A4
SCHEMBL30157508 0.76 LMNA (0.40) KMT2AMEN1ATMHDAC1HDAC2

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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