SCHEMBL31359535

SCHEMBL31359535

COCc1cc2c(c(OCc3ccccc3)c1Br)CCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
DHODH Q02127 1/20 0.38
NLRP3 Q96P20 2/20 0.38
RXRB P28702 5/20 0.36
RXRA P19793 5/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CCR5 P51681 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RXRG P48443 2/20 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
SCHEMBL31166592 0.78 MAOB (0.44) MAOBMAOACCR5LMNAHPGD
SCHEMBL31359536 0.78 DGAT1 (0.36) MAOBMAOANLRP3RXRBRXRA
SCHEMBL25201648 0.74 MAOB (0.45) MAOBMAOADHODHRXRBRXRA
SCHEMBL27295786 0.74 MAOB (0.42) MAOBMAOADHODHRXRBRXRA
SCHEMBL630107 0.73 TSHR (0.40) MAOBMAOADHODHRXRBRXRA
SCHEMBL31359545 0.73 MAPT (0.38) NLRP3LMNATDP1
SCHEMBL21806587 0.73 MAOA (0.46) MAOBMAOARXRBRXRAMRGPRX4
SCHEMBL25206762 0.71 MAOB (0.40) MAOBMAOADHODHNLRP3RXRB
SCHEMBL27921821 0.71 POLB (0.42) MAOBMAOADHODHRXRBRXRA
SCHEMBL646805 0.70 ALDH1A1 (0.51) MAOBDHODHRXRBRXRAHPGD

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-121586712-A Novel compounds 豪夫迈·罗氏有限公司 2026-02-27 CN disclosed
WO-2025026882-A1 NOVEL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2025-02-06 WO disclosed