SCHEMBL30157445

SCHEMBL30157445

O=C(NCc1cccc(Cl)c1Cl)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.78
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL30157775 0.92 P2RX7 (0.82) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL3750944 0.88 P2RX7 (1.00) P2RX7
SCHEMBL30157798 0.85 HPGD (0.62) P2RX7ALDH1A1SMN1; SMN2KMT2A
SCHEMBL30158761 0.85 P2RX7 (0.84) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL3664155 0.85 P2RX7 (1.00) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL9437343 0.80 ALDH1A1 (0.67) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL9687693 0.79 P2RX7 (0.62) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL30924083 0.78 ACKR3 (0.62) ALDH1A1
SCHEMBL9688612 0.78 P2RX7 (0.66) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL9437306 0.78 OPRM1 (0.64) P2RX7OPRM1OPRD1ALDH1A1SMN1; SMN2

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