SCHEMBL8800063

SCHEMBL8800063

COc1ccccc1N1CCN(CCc2cc(=O)c3c(OC)cccc3o2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.56
▸ HTR7 P34969 5/20 0.56
▸ ADRA1D P25100 3/20 0.56
▸ ADRA1A P35348 3/20 0.56
▸ ADRA1B P35368 3/20 0.56
▸ DRD2 P14416 1/20 0.53
▸ HTR6 P50406 1/20 0.52
▸ HTR2C P28335 1/20 0.52

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
SCHEMBL11630910 0.93 ADRA1D (0.58) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11630022 0.93 ABCC1 (0.49) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11630745 0.93 ABCC1 (0.50) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11627928 0.92 HTR1A (0.52) HTR1AHTR7ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11634209 0.92 ABCC1 (0.49) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11633843 0.91 ALDH1A1 (0.58) HTR1AHTR7DRD2HTR6
SCHEMBL11629707 0.89 HTR1A (0.60) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11631240 0.89 ABCC1 (0.54) HTR1ADRD2HTR2C
SCHEMBL11629833 0.89 ADRA1D (0.48) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL8799216 0.89 HTR1A (0.48) HTR1AHTR7ADRA1DADRA1AADRA1B

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 5 patents. 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 claimed
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 — — EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 — — EP disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 — — WO disclosed
US-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 — — US disclosed
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