SCHEMBL30157463

SCHEMBL30157463

COc1ccccc1CCNC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ P2RX7 Q99572 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41

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
SCHEMBL30157499 0.90 P2RX7 (0.53) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL30157907 0.87 P2RX7 (0.48) RAB9AP2RX7KMT2AMEN1HPGD
SCHEMBL30157560 0.86 P2RX7 (0.49) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL30157719 0.86 ALDH1A1 (0.51) GAAP2RX7KMT2AMEN1TDP1
SCHEMBL30158093 0.86 P2RX7 (0.53) P2RX7KMT2AHPGD
SCHEMBL30157349 0.86 P2RX7 (0.51) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL30157387 0.86 P2RX7 (0.48) NPC1RAB9AGAAP2RX7KMT2A
SCHEMBL30157993 0.86 P2RX7 (0.55) P2RX7KMT2A
SCHEMBL30157572 0.85 P2RX7 (0.50) NPC1P2RX7KMT2AMEN1TDP1
SCHEMBL30157597 0.85 P2RX7 (0.52) NPC1RAB9AP2RX7KMT2AMEN1

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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