SCHEMBL6565551

SCHEMBL6565551

Fc1ccc(OC2CCCC2)cc1CBr

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ FFAR4 Q5NUL3 5/20 0.44
▸ APP P05067 1/20 0.41
▸ PDK2 Q15119 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ S1PR3 Q99500 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KAT6A Q92794 1/20 0.34

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
SCHEMBL31345398 0.77 FFAR4 (0.51) PTGS1PTGS2FFAR4APPALDH1A1
SCHEMBL31345444 0.77 FFAR4 (0.42) PTGS1PTGS2FFAR4EPHX2
SCHEMBL23434787 0.76 PTGS1 (0.44) PTGS1PTGS2FFAR4APPS1PR3
SCHEMBL17012836 0.75 PTGS1 (0.51) PTGS1PTGS2FFAR4PDK2FFAR1
SCHEMBL9068406 0.75 PTGS1 (0.48) PTGS1PTGS2FFAR4APPPDK2
SCHEMBL31680180 0.75 PTGS1 (0.44) PTGS1PTGS2FFAR4APPPDK2
SCHEMBL16482942 0.75 PTGS1 (0.44) PTGS1PTGS2FFAR4APPPDK2
SCHEMBL6566407 0.75 PTGS1 (0.51) PTGS1PTGS2FFAR4APPPDK2
SCHEMBL378823 0.72 MTNR1B (0.51) —
SCHEMBL31051591 0.72 MTNR1B (0.51) —

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
EP-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 — — EP disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 — — US disclosed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 — — EP disclosed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 — — WO disclosed
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