SCHEMBL22493345

SCHEMBL22493345

CC(C)(C)NCCc1cccnc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.43
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
DRD3 P35462 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 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
SCHEMBL22493350 0.94 OPRL1 (0.44) OPRL1P2RX7DRD3USP2CYP1A2
SCHEMBL13827596 0.78 GRM5 (0.41) OPRL1DRD3HTR1AADRA2ANMT1
SCHEMBL17029329 0.77 OPRL1 (0.41) OPRL1NMT1ALDH1A1
SCHEMBL13819907 0.76 RIPK1 (0.44) OPRL1P2RX7OPRM1NMT1GRM4
SCHEMBL22493402 0.76 P2RX7 (0.37) P2RX7CYP2C9NMT1
SCHEMBL22493349 0.74 GRM5 (0.35) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL22493346 0.74 ALDH1A1 (0.33) CYP1A2ALDH1A1LMNA
SCHEMBL21662742 0.73 OPRL1 (0.42) OPRL1P2RX7NMT1GRM4
SCHEMBL22493463 0.73 HTR2A (0.48) SLC6A2SLC6A4GAA
SCHEMBL22493867 0.73 CD38 (0.38) KCNH2ALDH1A1GAA

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