SCHEMBL9052842

SCHEMBL9052842

COc1cccc2c1C(C)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
HTR1A P08908 10/20 0.43
ACHE P22303 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL7935873 0.80 MTNR1A (0.43) DRD2HTR1AHCRTR1HCRTR2
SCHEMBL7935755 0.78 HTR1A (0.52) HTR1AACHE
SCHEMBL21360734 0.78 BRD4 (0.38) ACHEHCRTR2
SCHEMBL7926754 0.76 HTR1A (0.55) DRD2HTR1AHCRTR1HCRTR2
SCHEMBL9341290 0.76 HTR2C (0.49) HTR1A
SCHEMBL8874693 0.76 PDE7A (0.35)
SCHEMBL22837450 0.75 CETP (0.46) DRD2HTR1A
SCHEMBL7926523 0.75 HTR1A (0.53) DRD2HTR1A
SCHEMBL9372184 0.75 HTR2A (0.42) DRD2HTR1AHCRTR1HCRTR2
SCHEMBL8900041 0.74 HTR1A (0.43) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996007656-A1 CIS-HEXAHYDRO-5-(2-NAPHTHALENYL)PYRROLO<3,4-c>PYRROLES ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
US-5457121-A Cis-hexahydro-5-(1,2,3,4-tetrahydro-2-naphthalenyl)pyrrolo<3,4-c>pyrroles as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
EP-0343830-B1 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-07-13 EP disclosed
US-5026707-A Antiserotonine agents ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
EP-0343830-A2 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes ELI LILLY AND COMPANY (US) 1989-11-29 EP disclosed