SCHEMBL10484346

SCHEMBL10484346

NC(CCCc1cccc2ccccc12)(OC(=O)C(=O)OC(N)(CCCc1cccc2ccccc12)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.48
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
MTNR1A P48039 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
COPS5 Q92905 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CYP1A2 P05177 1/20 0.39
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
CTNNB1 P35222 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10529330 0.88 MCL1 (0.43) MCL1GRM2GRM3MTNR1ACOPS5
SCHEMBL10484234 0.79 MCL1 (0.46) MCL1GRM2GRM3MTNR1ATDP1
SCHEMBL10484353 0.79 MTNR1A (0.45) MCL1GRM2GRM3MTNR1ATDP1
SCHEMBL9613811 0.77 KDM4E (0.50) MCL1TDP1KMT2A
SCHEMBL10484268 0.74 MCL1 (0.35) MCL1MEN1KMT2A
SCHEMBL10484243 0.73 GRM2 (0.43) MCL1GRM2GRM3MTNR1ATDP1
SCHEMBL10484301 0.73 GRM2 (0.43) MCL1GRM2GRM3MTNR1ATDP1
SCHEMBL10531949 0.71 MCL1 (0.42) MCL1GRM2GRM3MTNR1ATDP1
SCHEMBL10484232 0.71 MTNR1A (0.42) MCL1GRM2GRM3MTNR1ATDP1
SCHEMBL2314388 0.70 MEN1 (0.66) MCL1MTNR1ATDP1CYP1A2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4876282-A ANTIDEPRESSANT, DIETETICS, ANTIALCOHOLISM AGENT ELI LILLY AND COMPANY (US) 1989-10-24 US disclosed
EP-0318234-A2 Improvements in or relating to selective serotonin uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed