SCHEMBL7538817

SCHEMBL7538817

O=C1c2ccccc2CC=C2C=CC=CC12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
METAP1 P53582 3/20 0.33
HTR6 P50406 1/20 0.33
MAOA P21397 2/20 0.33
CYP2A6 P11509 1/20 0.33
MAOB P27338 1/20 0.33
CES1 P23141 1/20 0.32
CYP19A1 P11511 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9205807 0.80 ACHE (0.41) ACHEMETAP1
SCHEMBL11879940 0.75 MEN1 (0.34) MAOACES1SMN1; SMN2
SCHEMBL989079 0.72 IDO1 (0.39) MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL460544 0.64 GAA (0.36)
SCHEMBL342296 0.62 ANPEP (0.38) ACHEMAOAMAOB
SCHEMBL9211824 0.62 CYP19A1 (0.35) ACHEMAOACYP2A6MAOBCES1
SCHEMBL12857531 0.60 ACHE (0.50) ACHEMETAP1CES1CYP19A1SMN1; SMN2
SCHEMBL276262 0.59 MAOA (0.41) ACHEHTR6MAOACYP2A6MAOB
SCHEMBL3614039 0.59 HTR6 (0.53) ACHEHTR6MAOACYP2A6MAOB
SCHEMBL13961310 0.59 ACHE (0.59) ACHEMETAP1MAOACES1CYP19A1

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-1198462-A1 PROCESS FOR PREPARING A 10,11-METHANODIBENZOSUBERANE DERIVATIVE ELI LILLY AND COMPANY (US) 2002-04-24 EP claimed
WO-2000075132-A1 PROCESS FOR PREPARING A 10,11-METHANODIBENZOSUBERANE DERIVATIVE ELI LILLY AND COMPANY (US) 2000-12-14 WO claimed
EP-1198462-A1 PROCESS FOR PREPARING A 10,11-METHANODIBENZOSUBERANE DERIVATIVE ELI LILLY AND COMPANY (US) 2002-04-24 EP disclosed
WO-2000075132-A1 PROCESS FOR PREPARING A 10,11-METHANODIBENZOSUBERANE DERIVATIVE ELI LILLY AND COMPANY (US) 2000-12-14 WO disclosed