SCHEMBL31705786

SCHEMBL31705786

COC(=O)C[C@@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 4/20 0.47
P2RX7 Q99572 2/20 0.47
MTNR1A P48039 5/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MTNR1B P49286 1/20 0.44
GAA P10253 1/20 0.44
CAPN1 P07384 1/20 0.44
NR1H2 P55055 1/20 0.44

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
SCHEMBL30158662 0.88 KMT2A (0.59) HDAC1HDAC2HCRTR2KMT2AGAA
SCHEMBL31706314 0.88 P2RX7 (0.52) HDAC1P2RX7
SCHEMBL11360254 0.88 TSHR (0.49) HCRTR1HCRTR2TSHRKMT2AMEN1
SCHEMBL10994281 0.88 TSHR (0.49) HCRTR1HCRTR2TSHRKMT2AMEN1
SCHEMBL31705797 0.86 KMT2A (0.48) HCRTR1HCRTR2P2RX7KMT2AMEN1
SCHEMBL30157523 0.86 KMT2A (0.48) HCRTR1HCRTR2P2RX7KMT2AMEN1
SCHEMBL31706616 0.85 CYP2D6 (0.58) P2RX7TSHRKMT2AMEN1GAA
SCHEMBL31706028 0.85 ITGB1 (0.47) HDAC1HDAC2HCRTR1HCRTR2P2RX7
SCHEMBL31705310 0.83 RAB9A (0.45) HCRTR1HCRTR2P2RX7KMT2AMEN1
SCHEMBL30157815 0.82 KMT2A (0.44) HDAC1HDAC2HCRTR1HCRTR2P2RX7

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-2025217020-A1 SUBSTITUTED 5-MEMBERED RING MOLECULES AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2025-10-16 WO disclosed