SCHEMBL25368043

SCHEMBL25368043

COc1cc(F)c(Br)c(C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.34
FPR1 P21462 2/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
FPR2 P25090 1/20 0.32
KDM1A O60341 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CPS1 P31327 4/20 0.31
FFAR1 O14842 4/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL1552502 0.78 ALDH1A1 (0.50) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL5775046 0.75 TRPV4 (0.35) TAAR1ALDH1A1CYP1A2FFAR1
SCHEMBL8098541 0.74 FFAR1 (0.46) PTGDR2FFAR1
SCHEMBL25368036 0.72 KDM1A (0.33) TAAR1KDM1A
SCHEMBL1042615 0.71 TAAR1 (0.44) TAAR1ALDH1A1MAOAMAOBCYP1A1
SCHEMBL30083748 0.71 TAAR1 (0.44) TAAR1ALDH1A1MAOAMAOBCYP1A1
SCHEMBL898637 0.70 PTGDR2 (0.42) PTGDR2
SCHEMBL25367275 0.70 TAAR1 (0.32) TAAR1
SCHEMBL30543727 0.70 TAAR1 (0.32) TAAR1
SCHEMBL27779814 0.70 HTR1A (0.36) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212699-A NLRP3 inhibitors PTC医疗公司 2024-12-27 CN disclosed
EP-4479045-A2 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-12-25 EP disclosed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed