SCHEMBL30157930

SCHEMBL30157930

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.46
▸ TACR1 P25103 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL30157596 0.94 P2RX7 (0.48) P2RX7MEN1KMT2AALDH1A1NPC1
SCHEMBL30157349 0.87 P2RX7 (0.51) P2RX7MEN1KMT2AALDH1A1NPC1
SCHEMBL30157436 0.86 P2RX7 (0.48) P2RX7KMT2AALDH1A1
SCHEMBL30157572 0.86 P2RX7 (0.50) P2RX7MEN1KMT2AALDH1A1NPC1
SCHEMBL30158625 0.86 P2RX7 (0.48) P2RX7MEN1KMT2AALDH1A1
SCHEMBL30157499 0.85 P2RX7 (0.53) P2RX7MEN1KMT2AALDH1A1NPC1
SCHEMBL30157993 0.85 P2RX7 (0.55) P2RX7KMT2AALDH1A1
SCHEMBL30158008 0.85 P2RX7 (0.49) P2RX7KMT2AALDH1A1NPC1RAB9A
SCHEMBL30157971 0.85 P2RX7 (0.47) P2RX7MEN1KMT2AALDH1A1NPC1
SCHEMBL30157682 0.85 ALDH1A1 (0.57) 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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