SCHEMBL6298201

SCHEMBL6298201

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC15A1 P46059 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL27565891 1.00 PIN1 (0.47) PIN1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL1883119 0.87 PIN1 (0.51) PIN1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL6791114 0.85 MC4R (0.50) PIN1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL6791119 0.85 MC4R (0.50) PIN1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL15485414 0.84 PIN1 (0.49) PIN1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL17848997 0.84 CTSL (0.45) LMNASLC15A1SMN1; SMN2
SCHEMBL8859231 0.82 LMNA (0.58) ALDH1A1LMNAHSD17B10TRPM8MEN1
SCHEMBL5941081 0.82 PIN1 (0.56) PIN1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8732931 0.81 PIN1 (0.45) PIN1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8155355 0.81 PIN1 (0.45) PIN1ALDH1A1LMNAPOLBHSD17B10

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-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
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