SCHEMBL8730878

SCHEMBL8730878

N#Cc1ccc([C@H]2CC[C@H](C3CCCCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 2/20 0.41
EPHX1 P07099 1/20 0.40
HSD11B1 P28845 2/20 0.39
CYP19A1 P11511 6/20 0.39
EGLN2 Q96KS0 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8730882 1.00 MAOA (0.47) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL21649123 0.98 MAOA (0.44) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL8768480 0.98 MAOA (0.44) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL21649125 0.94 GRIA1 (0.43) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL8767087 0.93 HRH3 (0.49) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL8767080 0.93 HRH3 (0.49) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL13621591 0.92 GRIA1 (0.46) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL22680616 0.88 MAOA (0.53) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL250728 0.88 MAOA (0.53) MAOAMAOBGRIA1GRIA2GRIA3
SCHEMBL250894 0.86 MAOA (0.50) MAOAMAOBGRIA1GRIA2GRIA3

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed
US-4439340-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1984-03-27 US disclosed