SCHEMBL28958389

SCHEMBL28958389

O=C(O)CCC1(c2ccccc2)CN(c2ccccc2)CCN1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADAMTS5 Q9UNA0 4/20 0.40
MMP2 P08253 2/20 0.40
MMP13 P45452 1/20 0.40
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C8 P10632 1/20 0.36
EPHX2 P34913 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
SCHEMBL28958296 0.90 MAPT (0.40) MAPTLMNANPSR1ADAMTS5MMP2
SCHEMBL9685878 0.72 MAPT (0.43) MAPTLMNANPSR1ADAMTS5MMP2
SCHEMBL2114983 0.65 HTR1A (0.73) MAPTLMNAHTR1AHTR7ALDH1A1
Hydrochloric Acid SCHEMBL9811592 0.64 HTR1A (0.71) MAPTLMNAHTR1AHTR7ALDH1A1
SCHEMBL27786793 0.64 MAPT (0.78) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL4432092 0.63 HDAC1 (0.63) MAPTLMNANPSR1HTR1AALDH1A1
SCHEMBL8045431 0.63 KCNH2 (0.69) HTR1AHTR7SIGMAR1
SCHEMBL8484287 0.62 MAOA (0.50) LMNANPSR1MEN1KMT2ATSHR
SCHEMBL8343570 0.62 HDAC3 (0.62) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL30528252 0.61 MAPT (0.86) MAPTLMNANPSR1HTR1AHTR7

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-110234631-B Composition for treating hypertension and/or fibrosis 维克特斯生物系统有限公司 2023-02-28 CN disclosed