SCHEMBL30157458

SCHEMBL30157458

O=C(CC1CCC(=O)N1Cc1cccc(C(F)(F)F)c1)NCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.52
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL30157636 0.87 P2RX7 (0.56) P2RX7NPC1RAB9AHDAC1HDAC2
SCHEMBL30157885 0.85 P2RX7 (0.60) P2RX7NPC1RAB9ASIGMAR1KMT2A
SCHEMBL30157928 0.83 HDAC1 (0.48) P2RX7HDAC1HDAC2KMT2A
SCHEMBL30157596 0.83 P2RX7 (0.48) P2RX7NPC1RAB9AKMT2A
SCHEMBL30158715 0.82 GAA (0.59) P2RX7HDAC1HDAC2KMT2A
SCHEMBL30157924 0.82 HDAC1 (0.50) P2RX7SIGMAR1HDAC1HDAC2KMT2A
SCHEMBL30157538 0.80 P2RX7 (0.48) P2RX7NPC1RAB9ASIGMAR1HDAC1
SCHEMBL30158065 0.79 SIGMAR1 (0.53) P2RX7SIGMAR1KMT2A
SCHEMBL30157794 0.79 P2RX7 (0.55) P2RX7NPC1RAB9ASIGMAR1HDAC1
SCHEMBL30157930 0.79 P2RX7 (0.46) P2RX7NPC1RAB9AKMT2A

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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