SCHEMBL31414530

SCHEMBL31414530

O=C1c2ccc(Br)cc2CCN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
GRM5 P41594 1/20 0.48
DRD3 P35462 2/20 0.47
DRD2 P14416 1/20 0.47
KCNH2 Q12809 1/20 0.47
PTGER4 P35408 2/20 0.46
PTGER2 P43116 1/20 0.46
DRD1 P21728 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL29500293 0.86 DRD3 (0.59) HRH3PSEN1PSEN2APH1BNCSTN
SCHEMBL5946784 0.83 GRM5 (0.67) HRH3GRM5KDM4EALDH1A1LMNA
SCHEMBL24617036 0.80 ROCK2 (0.61) ROCK2ROCK1GRM5DRD3DRD2
SCHEMBL29779067 0.80 ROCK2 (0.61) ROCK2ROCK1GRM5DRD3DRD2
SCHEMBL6819309 0.79 LMNA (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27049079 0.77 NPBWR1 (0.44) HRH3PSEN1PSEN2APH1BNCSTN
SCHEMBL29644814 0.76 PRMT5 (0.45) HRH3GRM5PRMT5WDR77
SCHEMBL16593829 0.75 PTGER4 (0.58) DRD3DRD2KCNH2PTGER4PTGER2
SCHEMBL582220 0.73 GRM5 (0.51) HRH3GRM5ALDH1A1GAAKMT2A
SCHEMBL29926219 0.73 GRM5 (0.55) HRH3GRM5KDM4EALDH1A1LMNA

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
EP-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed