SCHEMBL30157510

SCHEMBL30157510

Cc1ccc(CCNC(=O)CC2CCC(=O)N2Cc2cccc(F)c2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.51
▸ TSHR P16473 2/20 0.50
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ GFER P55789 1/20 0.41
▸ HPGD P15428 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
SCHEMBL30157572 0.93 P2RX7 (0.50) P2RX7TSHRHTTALDH1A1KMT2A
SCHEMBL30157349 0.92 P2RX7 (0.51) P2RX7TSHRALDH1A1KMT2A
SCHEMBL30158008 0.91 P2RX7 (0.49) P2RX7TSHRHTTALDH1A1NPSR1
SCHEMBL30157682 0.91 ALDH1A1 (0.57) P2RX7HTTALDH1A1GAANPSR1
SCHEMBL30158625 0.90 P2RX7 (0.48) P2RX7TSHRHTTALDH1A1KMT2A
SCHEMBL30157907 0.90 P2RX7 (0.48) P2RX7ALDH1A1POLBKMT2AHPGD
SCHEMBL30157499 0.88 P2RX7 (0.53) P2RX7ALDH1A1KMT2A
SCHEMBL30157993 0.88 P2RX7 (0.55) P2RX7ALDH1A1KMT2A
SCHEMBL30157436 0.87 P2RX7 (0.48) P2RX7ALDH1A1GAAPOLBKMT2A
SCHEMBL30158742 0.86 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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