SCHEMBL22493471

SCHEMBL22493471

Cc1ccc(CCNC(C)(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADORA2A P29274 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
HRH4 Q9H3N8 2/20 0.35
DAO P14920 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL29721716 0.81 DAO (0.40) HRH3HRH4DAOALDH1A1KDM4E
SCHEMBL22493337 0.78 DAO (0.45) DAOALDH1A1RAB9AKDM4EMAPT
SCHEMBL18682734 0.78 CCR1 (0.52) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL22493236 0.77 ACACB (0.39) HRH3HRH4ALDH1A1KDM4E
SCHEMBL9917319 0.76 CCR1 (0.41) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL24307873 0.73 CCR1 (0.39) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL9968979 0.73 CCR1 (0.39) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL28265616 0.73 CCR1 (0.39) PDE10ACCR1CCR5CCR8HDAC6
SCHEMBL7752373 0.73 HRH3 (0.65) HRH3ALDH1A1RAB9ALMNATAAR1
SCHEMBL991122 0.72 CCR1 (0.46) PDE10ACCR1CCR5CCR8HDAC6

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