SCHEMBL28370643

SCHEMBL28370643

COc1ccc2c(CCNC(=O)c3cc(C)ccc3-n3nccn3)c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.58
MTNR1B P49286 2/20 0.58
HPGD P15428 2/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.51
ACHE P22303 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
PTGS2 P35354 3/20 0.50
PTGS1 P23219 2/20 0.50
ATM Q13315 1/20 0.50
HCRTR2 O43614 1/20 0.49
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL28374900 0.93 KMT2A (0.61) MTNR1AMTNR1BHPGDMAPTKMT2A
SCHEMBL28370936 0.87 PTGS1 (0.52) MTNR1AMTNR1BHPGDGAAPOLB
SCHEMBL28375764 0.87 PTGS2 (0.52) MTNR1AMTNR1BGAAACHERAB9A
SCHEMBL28370672 0.86 PTGS2 (0.68) MAPTGAAKMT2AMEN1POLB
SCHEMBL31177161 0.83 PTGS2 (0.72) MTNR1AMTNR1BHPGDMAPK1MAPT
SCHEMBL28370243 0.82 SNCA (0.59) MTNR1AMTNR1BHPGDGAAPTGS2
SCHEMBL28376146 0.82 NOTUM (0.57) MTNR1AMTNR1BHPGDMAPTGAA
SCHEMBL28375771 0.82 HTR6 (0.48) MTNR1AMTNR1BKMT2AMEN1HCRTR2
SCHEMBL28374489 0.77 MAPT (0.47) MTNR1AMTNR1BMAPTPOLBHCRTR2
SCHEMBL31177165 0.76 PTGS2 (0.74) MTNR1AMTNR1BHPGDMAPTKMT2A

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
CN-106986859-B Indole derivatives and uses thereof 广东东阳光药业有限公司 2020-02-11 CN disclosed