SCHEMBL30157499

SCHEMBL30157499

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.53
▸ TAAR1 Q96RJ0 4/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL30157560 0.92 P2RX7 (0.49) P2RX7TAAR1KMT2AALDH1A1MEN1
SCHEMBL30157719 0.92 ALDH1A1 (0.51) P2RX7KMT2AALDH1A1MEN1
SCHEMBL30157349 0.92 P2RX7 (0.51) P2RX7TAAR1KMT2AALDH1A1MEN1
SCHEMBL30157993 0.92 P2RX7 (0.55) P2RX7TAAR1KMT2AALDH1A1
SCHEMBL30157954 0.91 P2RX7 (0.48) P2RX7TAAR1ALDH1A1
SCHEMBL30157463 0.90 NPC1 (0.50) P2RX7KMT2AMEN1NPC1RAB9A
SCHEMBL30158053 0.90 P2RX7 (0.54) P2RX7KMT2AALDH1A1MEN1
SCHEMBL30157653 0.89 P2RX7 (0.48) P2RX7KMT2AALDH1A1MEN1
SCHEMBL30157572 0.89 P2RX7 (0.50) P2RX7KMT2AALDH1A1MEN1KDM4E
SCHEMBL30158742 0.89 P2RX7 (0.59) P2RX7ALDH1A1

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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