SCHEMBL6300387

SCHEMBL6300387

CC(C)(C)OC(=O)N1CCN(c2cc3ccccc3o2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.56
MMP13 P45452 1/20 0.53
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
SCD O00767 1/20 0.46
SCD5 Q86SK9 1/20 0.46
PIK3CA P42336 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL29975383 0.82 BACE1 (0.47) BACE1MMP13ALDH1A1LMNAHRH4
SCHEMBL27163866 0.82 BACE1 (0.47) BACE1MMP13ALDH1A1LMNAHRH4
SCHEMBL29046359 0.80 RAB9A (0.70) BACE1ALDH1A1LMNAMAPT
SCHEMBL14749300 0.77 MMP13 (0.48) BACE1MMP13ALDH1A1GPR119SCD5
SCHEMBL4058660 0.77 GAA (0.64) CKS1BSKP1SKP2GAAKMT2A
SCHEMBL513725 0.76 MMP13 (0.48) BACE1MMP13CKS1BSKP1SKP2
SCHEMBL4926545 0.76 MMP13 (0.55) BACE1MMP13ALDH1A1MEN1GLA
SCHEMBL30081813 0.75 MEN1 (0.51) BACE1ALDH1A1MEN1KMT2AGPR119
SCHEMBL31264982 0.75 BACE1 (0.58) BACE1ALDH1A1LMNAMAPT
SCHEMBL1458887 0.74 GPR119 (0.76) CKS1BSKP1SKP2ALDH1A1MEN1

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
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed
CN-1365359-A Benzofurylpiperazines and benzofurylhomopiperazines: serotonin agonists LILLY CO ELI (US) 2002-08-21 CN disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed