SCHEMBL9685394

SCHEMBL9685394

Nc1c2c(nc3cnccc13)CCCC2O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
TSHR P16473 1/20 0.69
ALDH1A1 P00352 1/20 0.69
NR3C1 P04150 1/20 0.69
KCNH2 Q12809 1/20 0.69

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
Velnacrine SCHEMBL194467 0.82 CYP1A2 (1.00) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9875466 0.77 ACHE (0.67) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9654428 0.77 ACHE (0.67) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9651915 0.77 ACHE (0.67) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL10846147 0.76 ACHE (0.69) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL10642848 0.76 ACHE (0.45) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL10843037 0.75 ACHE (0.67) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9874959 0.75 ACHE (0.67) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL10845949 0.75 ACHE (0.67) ACHECYP1A2CYP2C9TSHRALDH1A1
Velnacrine SCHEMBL637476 0.74 TSHR (0.83) ACHECYP1A2CYP2C9TSHRALDH1A1

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
US-4753950-A MEMORY ENHANCEMENT, ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-28 US claimed
EP-0273176-B1 FUSED HETEROCYCLIC TETRAHYDROAMINOQUINOLINOLS AND RELATED COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-24 EP disclosed
EP-0273176-A2 Fused heterocyclic tetrahydroaminoquinolinols and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-07-06 EP disclosed
US-4753950-A MEMORY ENHANCEMENT, ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-28 US disclosed