SCHEMBL10484353

SCHEMBL10484353

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MCL1 Q07820 4/20 0.43
TDP1 Q9NUW8 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
ATM Q13315 1/20 0.39
NQO2 P16083 1/20 0.39
REN P00797 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL10484232 0.89 MTNR1A (0.42) MTNR1AMCL1TDP1SIGMAR1GRM2
SCHEMBL10484346 0.79 MCL1 (0.48) MTNR1AMCL1TDP1GRM2GRM3
SCHEMBL10484234 0.79 MCL1 (0.46) MTNR1AMCL1TDP1GRM2GRM3
SCHEMBL10484191 0.76 ACP3 (0.43) MTNR1ATDP1GRM2GRM3ATM
SCHEMBL10484243 0.73 GRM2 (0.43) MTNR1AMCL1TDP1GRM2GRM3
SCHEMBL10484195 0.72 L3MBTL1 (0.32) MTNR1ATDP1ATMKMT2AKDM4E
SCHEMBL10529330 0.71 MCL1 (0.43) MTNR1AMCL1GRM2GRM3KMT2A
SCHEMBL10484341 0.71 SLC2A1 (0.38) MTNR1AMCL1SIGMAR1NQO2KMT2A
SCHEMBL10531949 0.70 MCL1 (0.42) MTNR1AMCL1TDP1SIGMAR1GRM2
SCHEMBL28309323 0.68 ALDH1A1 (0.57) MTNR1ATDP1ATMNQO2KDM4E

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 3 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 claimed
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