SCHEMBL7672453

SCHEMBL7672453

CCCCCC1CCC(C=Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.37
CA1 P00915 1/20 0.36
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 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
SCHEMBL7672459 1.00 MAOA (0.37) MAOAMAOBCA1MGLLALDH1A1
SCHEMBL9180238 0.92 MAOA (0.43) MAOAMAOB
SCHEMBL9180243 0.92 MAOA (0.43) MAOAMAOB
SCHEMBL10786744 0.87 MAOA (0.44) MAOAMAOBALDH1A1LMNAGAA
SCHEMBL10786736 0.87 MAOA (0.44) MAOAMAOBALDH1A1LMNAGAA
SCHEMBL10786740 0.87 MAOA (0.44) MAOAMAOBALDH1A1LMNAGAA
SCHEMBL27909303 0.84 MAOB (0.41) MAOAMAOBCA1MGLLALDH1A1
SCHEMBL27909305 0.84 MAOB (0.41) MAOAMAOBCA1MGLLALDH1A1
SCHEMBL28007660 0.82 LCK (0.44) MAOBLMNAMAPT
SCHEMBL28007659 0.82 LCK (0.44) MAOBLMNAMAPT

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
US-6388146-B1 AROMATIC UNSATURATED NOMONER SHARP KABUSHIKI KAISHA (JP) 2002-05-14 US disclosed