SCHEMBL30157775

SCHEMBL30157775

O=C(NCc1ccccc1Cl)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.82
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL30157445 0.92 P2RX7 (0.78) P2RX7ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL3664155 0.90 P2RX7 (1.00) P2RX7ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL30158761 0.90 P2RX7 (0.84) P2RX7ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL3750944 0.84 P2RX7 (1.00) P2RX7
SCHEMBL30157721 0.84 P2RX7 (0.78) P2RX7ALDH1A1SMN1; SMN2KMT2APKM
SCHEMBL9437343 0.83 ALDH1A1 (0.67) P2RX7ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL9687693 0.81 P2RX7 (0.62) P2RX7ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL5843442 0.81 SMN1; SMN2 (0.60) P2RX7ALDH1A1SMN1; SMN2GLAPOLB
SCHEMBL9688612 0.81 P2RX7 (0.66) P2RX7ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL9437306 0.81 OPRM1 (0.64) P2RX7ALDH1A1SMN1; SMN2OPRM1OPRD1

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