SCHEMBL10484232

SCHEMBL10484232

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MCL1 Q07820 3/20 0.40
KDM4E B2RXH2 2/20 0.40
REN P00797 2/20 0.40
CDYL Q9Y232 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
METAP2 P50579 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36

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
SCHEMBL10484353 0.89 MTNR1A (0.45) MTNR1AMCL1KDM4ERENSIGMAR1
SCHEMBL10484462 0.81 MTNR1A (0.42) MTNR1ASIGMAR1TDP1
SCHEMBL10531949 0.80 MCL1 (0.42) MTNR1AMCL1KDM4ERENCDYL
SCHEMBL9613732 0.80 KDM4E (0.46) MCL1KDM4ETDP1KMT2AALDH1A1
SCHEMBL10527929 0.77 KDM4E (0.41) MTNR1AMCL1KDM4ECDYLSIGMAR1
SCHEMBL10484191 0.73 ACP3 (0.43) MTNR1AKDM4ETDP1KMT2AALDH1A1
SCHEMBL10484346 0.71 MCL1 (0.48) MTNR1AMCL1TDP1KMT2AGRM2
SCHEMBL10484234 0.70 MCL1 (0.46) MTNR1AMCL1KDM4ECDYLTDP1
SCHEMBL10484341 0.68 SLC2A1 (0.38) MTNR1AMCL1SIGMAR1KMT2A
Cadaverine Tartrate SCHEMBL9518009 0.66 MTNR1A (0.45) MTNR1AMCL1SIGMAR1TDP1KMT2A

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 1 patent. 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