SCHEMBL8799216

SCHEMBL8799216

COc1ccccc1N1CCN(CCc2cc(=O)c3c(OCC(C)O)cccc3o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HTR7 P34969 4/20 0.48
▸ ADRA1D P25100 3/20 0.48
▸ ADRA1A P35348 3/20 0.48
▸ ADRA1B P35368 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48

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
SCHEMBL11625995 0.91 HTR1A (0.51) HTR1ALMNAMAPTHTR7ADRA1D
SCHEMBL8800063 0.89 HTR1A (0.56) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11627928 0.85 HTR1A (0.52) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11630910 0.84 ADRA1D (0.58) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11630022 0.82 ABCC1 (0.49) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11630745 0.82 ABCC1 (0.50) HTR1AHTR7ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11634209 0.82 ABCC1 (0.49) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11629707 0.81 HTR1A (0.60) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL11633843 0.81 ALDH1A1 (0.58) HTR1ALMNAMAPTHTR7MAPK1
SCHEMBL11629833 0.79 ADRA1D (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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 — — EP claimed
US-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 — — US claimed
CN-108135837-A For being coated with the Zn composition of microneedle array 3M创新有限公司 2018-06-08 — — CN disclosed
CN-102917722-B For being coated with the aqueous formulation of microneedle array 3M创新有限公司 2018-05-22 — — CN disclosed
CN-107012008-A It is a kind of for foam type engine cleaning agent that can directly discharge of pressurized tank and preparation method thereof 沈阳市沈北新区朗润汽车养护用品厂 2017-08-04 — — CN disclosed
CN-101282941-A Imidazole compounds for the treatment of neurological disorders PFIZER (US) 2008-10-08 — — CN disclosed
CN-1306039-C Colorimetric method and reagent used therefor ARKRAY INC (JP) 2007-03-21 — — CN disclosed
CN-1261588-C Method of colorimetry and reagent for use therein ARKRAY INC (JP) 2006-06-28 — — CN disclosed
CN-1764832-A Sensor-receiving container ARKRAY INC (JP) 2006-04-26 — — CN disclosed
CN-1610753-A Method of colorimetry and reagent for use therein ARKRAY INC (JP) 2005-04-27 — — CN disclosed
CN-1522302-A Colorimetric method and reagent used therefor ������������ʽ���� 2004-08-18 — — CN disclosed
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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