SCHEMBL9749136

SCHEMBL9749136

CNc1c2c(nc3ccccc13)CCCC2N

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NR3C1 P04150 1/20 0.51
ACHE P22303 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL9875693 0.84 CYP1A2 (0.65) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL3807927 0.80 CYP1A2 (0.72) CYP1A2CYP2C9TSHRALDH1A1NR3C1
Hydrochloric Acid SCHEMBL3242591 0.79 TSHR (0.70) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL28575063 0.75 CYP1A2 (0.50) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL29522722 0.74 ACHE (0.66) ACHE
SCHEMBL16684277 0.74 ACHE (0.66) ACHE
SCHEMBL6464500 0.70 BCHE (0.42) CYP1A2ALDH1A1ACHE
SCHEMBL9106781 0.70 BCHE (0.50) CYP1A2ALDH1A1ACHE
SCHEMBL9875385 0.69 KDM4E (0.54) ALDH1A1ACHE
SCHEMBL9874125 0.69

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
US-5175172-A Administering amino-1,2,3,4-tetrahydroacridine and derivatives for elevation of T4 lymphocytes level in patients DIETLIN FRANCOIS (FR) 1992-12-29 US disclosed