SCHEMBL29640159

SCHEMBL29640159

NC(=O)N1CC2(CCNCC2)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
CYP11B2 P19099 1/20 0.41
AKT1 P31749 4/20 0.39
HRH1 P35367 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
NOTUM Q6P988 2/20 0.37
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6002678 0.81 KCNH2 (0.43) KCNH2NOTUMCHRM4CHRM1
SCHEMBL1993910 0.78 KCNH2 (0.36) KCNH2AKT1
SCHEMBL6463345 0.77 ALDH1A1 (0.41) AKT1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL6215597 0.74 KCNH2 (0.53) KCNH2AKT1NOTUMALDH1A1HPGD
SCHEMBL29640074 0.72 CYP11B2 (0.34) KCNH2CYP11B2LTA4HALDH1A1HPGD
SCHEMBL1572534 0.68 NOTUM (0.63) AKT1ROCK2ROCK1NOTUM
SCHEMBL31078186 0.68 NOTUM (0.41) KCNH2CYP11B2NOTUMLTA4H
SCHEMBL30232786 0.68 NOTUM (0.63) AKT1ROCK2ROCK1NOTUM
SCHEMBL29640071 0.68 CYP11B2 (0.37) KCNH2CYP11B2LTA4H
SCHEMBL655024 0.67 NOTUM (0.80) AKT1ROCK2ROCK1NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed