SCHEMBL10484243

SCHEMBL10484243

CN(C)C(CCc1cccc2ccccc12)(OC(=O)C(=O)OC(CCc1cccc2ccccc12)(c1ccccc1)N(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MTNR1A P48039 2/20 0.41
CDYL Q9Y232 1/20 0.41
MCL1 Q07820 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
METAP2 P50579 1/20 0.38
SIRT5 Q9NXA8 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
SCHEMBL10484234 0.93 MCL1 (0.46) GRM2GRM3TDP1KDM4EMTNR1A
SCHEMBL10530397 0.90 MEN1 (0.40) GRM2GRM3TDP1KDM4EMTNR1A
SCHEMBL10531949 0.82 MCL1 (0.42) GRM2GRM3TDP1KDM4EMTNR1A
SCHEMBL10527929 0.81 KDM4E (0.41) GRM2GRM3TDP1KDM4EMTNR1A
SCHEMBL9614076 0.81 HTR1B (0.49) TDP1KDM4EMCL1KMT2AALDH1A1
SCHEMBL10484346 0.73 MCL1 (0.48) GRM2GRM3TDP1MTNR1AMCL1
SCHEMBL10484353 0.73 MTNR1A (0.45) GRM2GRM3TDP1KDM4EMTNR1A
SCHEMBL9613987 0.73 HTR1B (0.46) TDP1KDM4EKMT2AALDH1A1
SCHEMBL9613816 0.73 HTR1B (0.46) TDP1KDM4EMCL1KMT2AALDH1A1
SCHEMBL9613801 0.72 HTR1B (0.45) TDP1KDM4EMCL1KMT2AALDH1A1

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