SCHEMBL29958397

SCHEMBL29958397

COC(=O)C1CCc2ccc(Cl)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B3 P37058 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
FAAH O00519 2/20 0.38
ADRB3 P13945 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
SCHEMBL27033455 1.00 MAPT (0.43) MAPTMTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL29174247 0.95 CYP1A2 (0.40) MAPTMTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL24214577 0.94 FAAH (0.43) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4016019 0.88 KMT2A (0.47) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL346094 0.87 CA1 (0.53) MAPTMTNR1AMTNR1BKMT2AMEN1
SCHEMBL346328 0.86 ADRB3 (0.46) HSD17B3FAAHADRB3
SCHEMBL344558 0.84 MEN1 (0.40) MAPTMTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL25554148 0.84 MTNR1A (0.44) MAPTMTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL346480 0.83 FAAH (0.51) HSD17B3FAAHADRB3
SCHEMBL29174245 0.83 MTNR1A (0.34) MAPTMTNR1AMTNR1BKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed