SCHEMBL20627070

SCHEMBL20627070

CN(C)C1CCN(Sc2ccccc2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ HTR7 P34969 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.37
▸ NPY1R P25929 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KDM1A O60341 3/20 0.33
▸ MAOA P21397 3/20 0.33
▸ MAOB P27338 3/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ SLC6A4 P31645 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CDYL Q9Y232 1/20 0.32
▸ CDY1; CDY1B Q9Y6F8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL20627361 0.78 MAOB (0.36) LMNAHTR7KDM1AMAOAMAOB
SCHEMBL21613703 0.75 KDM4E (0.41) LMNAL3MBTL3CYP2D6CYP2C19
SCHEMBL20627170 0.73 LDHA (0.33) L3MBTL3
SCHEMBL21448003 0.72 L3MBTL3 (0.44) L3MBTL3NPY1RHTR2AHTR2CHTR2B
SCHEMBL20627169 0.70 L3MBTL1 (0.46) L3MBTL3CYP2D6CYP2C19
SCHEMBL18059725 0.69 LMNA (0.36) LMNAHTR7MAOAMAOBCYP1A2
SCHEMBL15916768 0.67 EPHX2 (0.52) LMNAHTR2AHTR2CHTR6CYP3A4
Hydrogen Sulfide SCHEMBL21089111 0.66 NPY1R (0.39) LMNAL3MBTL3NPY1RHTR2AHTR2C
SCHEMBL13708519 0.65 HTR2A (0.45) HTR2AHTR2C
SCHEMBL21447979 0.64 L3MBTL3 (0.52) LMNAL3MBTL3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 — — EP disclosed
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