SCHEMBL22493346

SCHEMBL22493346

CC(C)c1ncccc1CCNC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
TP53BP1 Q12888 1/20 0.33
MTNR1A P48039 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CASP1 P29466 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC13A5 Q86YT5 1/20 0.30
LMNA P02545 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL22493402 0.80 P2RX7 (0.37) GRM5
SCHEMBL22493349 0.77 GRM5 (0.35) ALDH1A1MTNR1AKDM4EHRH3HTR2A
SCHEMBL22493463 0.76 HTR2A (0.48) MTNR1AHTR2AHTR2CSLC13A5
SCHEMBL22493867 0.76 CD38 (0.38) ALDH1A1TP53BP1MTNR1AKDM4ETAAR1
SCHEMBL22864232 0.76 HDAC6 (0.46) ALDH1A1KDM4ELMNAALOX15
SCHEMBL26853974 0.76 MAPK1 (0.34) ALDH1A1CYP1A2CYP2C19MTNR1AKDM4E
SCHEMBL23641297 0.75 GRM5 (0.44) ALDH1A1KDM4EGRM5
SCHEMBL22493347 0.75 KCNN4 (0.44) ALDH1A1KDM4ETRPV1
SCHEMBL26854073 0.75 SLC13A5 (0.49) KDM4EHTR2AHTR2CSLC13A5LMNA
SCHEMBL13712999 0.74 TKT (0.38) ALDH1A1CYP1A2KDM4ESLC13A5LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225021-A1 COMPOSITIONS AND METHODS FOR TREATING PATIENTS WITH AMYOTROPHIC LATERAL SCLEROSIS (ALS) CURASEN THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
WO-2020198466-A9 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020198466-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed