SCHEMBL6975743

SCHEMBL6975743

CCC1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
PARP1 P09874 2/20 0.45
AGTR2 P50052 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA9 Q16790 4/20 0.44
SIGMAR1 Q99720 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
DPP4 P27487 1/20 0.42
BCHE P06276 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6975745 1.00 NR1H2 (0.48) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL15020095 0.91 NR1H2 (0.47) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL15020096 0.91 NR1H2 (0.47) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL6099695 0.91 NR1H2 (0.58) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL8240100 0.91 SIGMAR1 (0.52) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL12780700 0.91 SIGMAR1 (0.52) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL8448438 0.91 NR1H2 (0.58) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL17376945 0.89 NR1H2 (0.48) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL26915001 0.89 NR1H2 (0.48) NR1H2NR1H3PARP1AGTR2CA1
SCHEMBL4291170 0.89 NR1H2 (0.48) NR1H2NR1H3PARP1AGTR2CA1

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
US-6638936-B1 Treatment of obesity in mammals, comprising administering to mammal in need of such treatment, treatment of obsessive compulsive disorder in mammals, comprising administering to a mammal treatment of depression in mammals ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1204658-B1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS LILLY CO ELI (US) 2003-05-07 EP disclosed
EP-1204658-A1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009123-A1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed