SCHEMBL11292349

SCHEMBL11292349

OCc1cc(Br)cc2c3c(oc12)CCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.43
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 6/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL11284099 0.84 HTR6 (0.38) HTR6MAOAMAOBMAPK1TSHR
SCHEMBL10966476 0.81 MAOA (0.39) HTR6MAOAMAOBMAPK1TSHR
SCHEMBL11292287 0.78 MAOA (0.44) MAOAMAOBMAPK1TSHRHTT
SCHEMBL26625828 0.69 ALDH1A1 (0.34) CYP1A2MAPTLMNACYP2D6CYP2C9
SCHEMBL10324027 0.69 ESR2 (0.40) HTR6
SCHEMBL11283989 0.66 MAOA (0.42) HTR6MAOAMAOBMAPK1TSHR
SCHEMBL11296073 0.66 MAOA (0.49) MAOAMAOBMAPK1TSHRHTT
SCHEMBL11332298 0.63 HTR6 (0.47) HTR6MAOAMAOBMAPK1TSHR
SCHEMBL19123587 0.61 ALDH1A1 (0.33) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL7817822 0.61 CYP1A2 (0.39) MAOAMAOBMAPK1TSHRHTT

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-0060640-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1982-09-22 — — EP disclosed
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