SCHEMBL22493399

SCHEMBL22493399

CC(C)(C)NCCc1cccc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KCNH2 Q12809 4/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
AGTR1 P30556 1/20 0.34
APP P05067 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL17886911 0.81 SMN1; SMN2 (0.46) ALDH1A1KCNH2APPCTSLCTSB
SCHEMBL5046126 0.80 HRH3 (0.52) ALDH1A1KCNH2GAAMAPTHPGD
SCHEMBL22493866 0.79 CNR2 (0.39) ALDH1A1KCNH2MAPTHPGDCTSL
SCHEMBL22493824 0.78 NPSR1 (0.42) ALDH1A1KCNH2APPCTSLCTSB
SCHEMBL22481251 0.78 APP (0.55) ALDH1A1KCNH2APPHRH3LMNA
SCHEMBL22493438 0.77 CNR2 (0.43) PDCD1LG2CD274GAAADRB2ADRB1
SCHEMBL22481116 0.77 PDE10A (0.40) KCNH2APPCTSLCTSBCTSS
SCHEMBL22493239 0.77 ADRB1 (0.41) KCNH2APPCTSLCTSBCTSS
SCHEMBL22481184 0.77 ADRB1 (0.38) ALDH1A1KCNH2APPCTSLCTSB
SCHEMBL22864061 0.76 FAAH (0.39) ALDH1A1ADRB2ADRB1CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137506-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
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