SCHEMBL28958296

SCHEMBL28958296

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADAMTS5 Q9UNA0 3/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28958389 0.90 MAPT (0.41) MAPTLMNANPSR1ADAMTS5MMP2
SCHEMBL3870090 0.67 HTR1A (0.69) LMNAHTR1AHTR7SIGMAR1TSHR
SCHEMBL3207003 0.66 HTR1A (0.67) HTR1AHTR7SIGMAR1
SCHEMBL1327430 0.65 MAPT (0.82) MAPTLMNANPSR1HTR1AHTR7
Phenylpiperazine SCHEMBL6495303 0.64 SIGMAR1 (0.67) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL11247532 0.64 KCNH2 (0.73) HTR1AHTR7SIGMAR1
SCHEMBL11260878 0.64 KCNH2 (0.73) HTR1AHTR7SIGMAR1
SCHEMBL4172010 0.64 MAPT (0.68) MAPTNPSR1HTR1AHTR7ALDH1A1
Butyramide SCHEMBL27930337 0.62 SMN1; SMN2 (0.55) MAPTLMNANPSR1ALDH1A1SIGMAR1
SCHEMBL9685878 0.62 MAPT (0.43) MAPTLMNANPSR1ADAMTS5MMP2

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