SCHEMBL30736497

SCHEMBL30736497

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
KDM4E B2RXH2 2/20 0.69
MEN1 O00255 2/20 0.69
TSHR P16473 2/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 1/20 0.69
MPO P05164 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
HIF1A Q16665 1/20 0.69
KCNT1 Q5JUK3 1/20 0.61
EGFR P00533 2/20 0.59
SRC P12931 1/20 0.59
HDAC8 Q9BY41 1/20 0.56
BRS3 P32247 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL901463 1.00 MAPT (0.69) MAPTKDM4EMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL9834221 0.99 MAPT (0.67) MAPTKDM4EMEN1TSHRKMT2A
Trifluoroacetic Acid SCHEMBL14762748 0.93 MAPT (0.60) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL8689585 0.90 HDAC8 (0.63) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL7613225 0.90 KMT2A (0.60) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL8689774 0.90 MAPT (0.63) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL8689768 0.90 MAPT (0.63) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL8398098 0.90 KDM4E (0.60) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL10691172 0.90 MAPT (0.60) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL8689596 0.90 HDAC8 (0.63) MAPTKDM4EMEN1TSHRKMT2A

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
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 WO disclosed