SCHEMBL29332333

SCHEMBL29332333

Nc1ccnc(OCCc2ccc(C(F)(F)F)cc2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ MAOB P27338 4/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ MPO P05164 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL29332326 0.83 TAAR1 (0.42) TAAR1CYP11B1CYP11B2CYP19A1MAOB
SCHEMBL30938600 0.73 CYP11B1 (0.44) TAAR1CYP11B1CYP11B2CYP19A1MAOB
SCHEMBL29332240 0.73 CYP11B1 (0.44) TAAR1CYP11B1CYP11B2CYP19A1MAOB
SCHEMBL30354770 0.70 MAOB (0.71) TAAR1MAOB
SCHEMBL25383372 0.69 TAAR1 (0.49) TAAR1CYP11B1CYP11B2CYP19A1MAOB
SCHEMBL6264538 0.68 IDO1 (0.64) TAAR1MAOBIDO1
SCHEMBL8873573 0.67 LTA4H (0.54) CYP11B1CYP11B2CYP19A1MAOB
SCHEMBL29331862 0.67 CYP11B1 (0.43) TAAR1CYP11B1CYP11B2CYP19A1MAOB
SCHEMBL5647845 0.66 LTA4H (0.42) TAAR1MAOBNR3C2MPOIDO1
SCHEMBL29331660 0.66 CYP11B1 (0.45) TAAR1CYP11B1CYP11B2CYP19A1MAOB

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
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
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