SCHEMBL24865629

SCHEMBL24865629

Cc1cc(Nc2ccc3c(c2)OCC(=O)N3C)cnc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.45
GABRB3 P28472 13/20 0.45
GABRA5 P31644 13/20 0.45
SYK P43405 3/20 0.41
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
GRM4 Q14833 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL31123294 1.00 GABRG2 (0.45) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL24865334 0.91 GABRG2 (0.45) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL31123207 0.91 GABRG2 (0.45) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL24865828 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL31123306 0.88 GABRG2 (0.43) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL24864970 0.88 GABRG2 (0.43) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL31123331 0.87 GABRG2 (0.47) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL24865473 0.87 GABRG2 (0.47) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL24865287 0.86 GABRG2 (0.47) GABRG2GABRB3GABRA5SYKCYP11B1
SCHEMBL31123341 0.86 GABRG2 (0.47) GABRG2GABRB3GABRA5SYKCYP11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed