SCHEMBL28291602

SCHEMBL28291602

NC(=O)c1ccc2cc(CCOC=O)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CHEK2 O96017 12/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
LCK P06239 1/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
TSHR P16473 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR5A P47898 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL28872616 0.90 MMP2 (0.48) MTNR1AMTNR1BCHEK2MMP2MMP13
SCHEMBL28687273 0.87 MTNR1A (0.43) MTNR1AMTNR1BPLGPLAUHTR1A
SCHEMBL28787309 0.81 MTNR1A (0.36) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL27792587 0.78 GAA (0.39) MTNR1AMTNR1B
SCHEMBL28291596 0.78 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL28658782 0.78 DAO (0.42) MTNR1AMTNR1B
SCHEMBL27550869 0.78 DAO (0.42) MTNR1AMTNR1B
SCHEMBL28072258 0.78 MAPT (0.43) MTNR1AMTNR1BMEN1CYP1A2TSHR
SCHEMBL28819115 0.76 MTNR1A (0.43) MTNR1AMTNR1BMMP2MMP13HTR1A
SCHEMBL27488329 0.76 LOXL2 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109748840-A A kind of synthetic method of 2- substituted indole derivative 中国医学科学院药物研究所 2019-05-14 CN disclosed