SCHEMBL11629707

SCHEMBL11629707

COc1ccccc1N1CCN(CCc2cc(=O)c3ccccc3o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.60
▸ HTR7 P34969 5/20 0.60
▸ HTR6 P50406 1/20 0.60
▸ ADRA1D P25100 3/20 0.56
▸ ADRA1A P35348 3/20 0.56
▸ ADRA1B P35368 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ BRAF P15056 1/20 0.53
▸ DRD2 P14416 1/20 0.53

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
SCHEMBL3398900 0.91 HTR1A (0.65) HTR1AHTR7HTR6GAABRAF
SCHEMBL11631716 0.90 MEN1 (0.63) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL11630012 0.90 HTR2A (0.62) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL8800063 0.89 HTR1A (0.56) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL11630084 0.89 MAPT (0.53) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL11627928 0.86 HTR1A (0.52) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL11632102 0.83 MEN1 (0.64) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL11630910 0.83 ADRA1D (0.58) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL11630022 0.82 ABCC1 (0.49) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11630745 0.82 ABCC1 (0.50) HTR1AHTR7HTR6ADRA1DADRA1A

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-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 — — US disclosed
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