SCHEMBL28985491

SCHEMBL28985491

CCOC(=O)Cn1cc(CCN)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALOX5 P09917 1/20 0.58
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.53
CRHBP P24387 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53
CREBBP Q92793 1/20 0.52
HTR2A P28223 1/20 0.51
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL13490809 0.89 ALDH1A1 (0.69) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL18171795 0.86 ALDH1A1 (0.66) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL28428521 0.85 ALDH1A1 (0.58) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL8139631 0.84 L3MBTL1 (0.64) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL14880155 0.82 ALDH1A1 (0.67) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL419619 0.82 MAPT (0.70) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL8528645 0.82 ALDH1A1 (0.71) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL28985493 0.82 HTR2A (0.58) ALDH1A1MEN1KMT2AHTR2ARAB9A
Hydrochloric Acid SCHEMBL14876437 0.81 ALDH1A1 (0.66) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL8021536 0.80 MCL1 (0.60) ALDH1A1MAPTALOX5KMT2AHTR2A

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-115825030-A Method for detecting tryptamine substances on site by using colorimetric-fluorescent dual-mode detection reagent 中国科学院新疆理化技术研究所 2023-03-21 CN disclosed