SCHEMBL22493347

SCHEMBL22493347

CC(C)(C)NCCc1cccnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.44
KCNA5 P22460 4/20 0.44
TRPV1 Q8NER1 5/20 0.41
ALDH1A1 P00352 2/20 0.38
LIMK2 P53671 1/20 0.38
HIF1A Q16665 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MYC P01106 1/20 0.34

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
SCHEMBL22493465 0.84 KCNA5 (0.40) KCNN4KCNA5TRPV1KDM4E
SCHEMBL22493402 0.78 P2RX7 (0.37)
SCHEMBL22493349 0.75 GRM5 (0.35) ALDH1A1KDM4EKMT2A
SCHEMBL22493346 0.75 ALDH1A1 (0.33) TRPV1ALDH1A1KDM4E
SCHEMBL18778553 0.74 GPR84 (0.44) KCNN4KCNA5ALDH1A1PTGS1PTGS2
SCHEMBL22493867 0.74 CD38 (0.38) ALDH1A1KDM4E
SCHEMBL22864232 0.74 HDAC6 (0.46) ALDH1A1HIF1AKDM4EKMT2A
SCHEMBL22493463 0.74 HTR2A (0.48) SLC22A12
SCHEMBL26853974 0.74 MAPK1 (0.34) KCNA5TRPV1ALDH1A1KDM4E
SCHEMBL21973538 0.73 PTGS1 (0.46) KCNN4KCNA5TRPV1ALDH1A1LIMK2

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