SCHEMBL30299394

SCHEMBL30299394

CC(C)N1CCN(CC=Cc2ccc(C3(N)N=C(N)NN3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 10/20 0.43
KCNH2 Q12809 5/20 0.41
HRH3 Q9Y5N1 3/20 0.41
LMNA P02545 5/20 0.40
HIF1A Q16665 4/20 0.40
CYP3A4 P08684 3/20 0.40
GAA P10253 3/20 0.40
CYP2D6 P10635 3/20 0.40
OPRM1 P35372 3/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
CHRM1 P11229 2/20 0.40

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
SCHEMBL30299386 0.87 SIGMAR1 (0.40) KCNH2HRH3LMNAHIF1ACYP3A4
SCHEMBL30299400 0.86 LTA4H (0.47) KCNH2HRH3LMNAHIF1ACYP3A4
SCHEMBL30299272 0.85 LTA4H (0.46) KCNH2HRH3LMNAHIF1ACYP3A4
SCHEMBL30299395 0.83 TSHR (0.38) KCNH2LMNAHIF1ACYP3A4GAA
SCHEMBL30299339 0.83 HRH3 (0.39) HRH3LMNAALDH1A1KDM4E
SCHEMBL30299374 0.81 SMN1; SMN2 (0.35) GPR4LMNAGAACHRM3PKM
SCHEMBL30299348 0.78 GPR4 (0.42) GPR4HRH3LMNAOPRM1OPRK1
SCHEMBL30299399 0.78 GPR4 (0.37) GPR4LMNAOPRM1SIGMAR1OPRK1
SCHEMBL30299358 0.78 GPR4 (0.43) GPR4HRH3OPRM1OPRK1ALDH1A1
SCHEMBL30299397 0.77 ALDH1A1 (0.33) HRH3HTR2AHRH1HTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed