SCHEMBL28994909

SCHEMBL28994909

COc1cc2c(C(C)OC=O)c[nH]c2cc1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
PDPK1 O15530 1/20 0.34
HTR1A P08908 1/20 0.33
S100B P04271 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GUSB P08236 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL27745994 0.81 LTA4H (0.38) HTR2AKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL28043663 0.77 IMPDH2 (0.38) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL27648954 0.77 HTR2A (0.41) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL27648729 0.76 MTNR1A (0.41) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL28038344 0.76 MTNR1A (0.33) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL28929780 0.76 ALDH1A1 (0.57) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL28672698 0.76 HTR2A (0.59) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL27942878 0.73 GPR84 (0.47) MTNR1AMTNR1BALDH1A1
SCHEMBL27552358 0.73 MTNR1A (0.39) MTNR1AMTNR1BMAPT
SCHEMBL27768537 0.73 THRA (0.32) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890999-A Preparation method of PQQ 江苏海洋大学 2022-08-12 CN claimed
CN-114890999-B Preparation method of PQQ 江苏信佑生物有限公司 2023-10-24 CN disclosed
CN-114890999-B Preparation method of PQQ 江苏信佑生物有限公司 2023-10-24 CN disclosed
CN-114890999-A Preparation method of PQQ 江苏海洋大学 2022-08-12 CN disclosed
CN-114890999-A Preparation method of PQQ 江苏海洋大学 2022-08-12 CN disclosed