SCHEMBL11737985

SCHEMBL11737985

COc1ccc2c(c1)C(CCN(C)C)CNC2=S

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
METAP1 P53582 3/20 0.40
CYP2D6 P10635 2/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL11731184 0.89 HTR1A (0.37) HTR6
SCHEMBL11738762 0.88 HTR6 (0.36) HTR6METAP1CYP2D6HRH1KCNH2
SCHEMBL11647423 0.86 HTR6 (0.45) HTR6METAP1
SCHEMBL11737012 0.86 DRD3 (0.35) HTR6
SCHEMBL11736091 0.83 ALDH1A1 (0.34)
SCHEMBL7436995 0.83 HTR6 (0.46) HTR6
SCHEMBL26639689 0.83 HTR6 (0.46) HTR6
SCHEMBL26646007 0.83 HTR6 (0.46) HTR6
SCHEMBL11735864 0.81 METAP1 (0.35) HTR6METAP1CYP2D6HRH1KCNH2
SCHEMBL11732657 0.81 SIGMAR1 (0.42)

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-4014884-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed