SCHEMBL11625995

SCHEMBL11625995

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51

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
SCHEMBL8799216 0.91 HTR1A (0.48) HTR1AMAPTLMNAKDM4EMEN1
SCHEMBL8800063 0.87 HTR1A (0.56) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL11627928 0.84 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BHTR2B
SCHEMBL11630910 0.83 ADRA1D (0.58) HTR1AKDM4EMEN1KMT2AALDH1A1
SCHEMBL11630745 0.81 ABCC1 (0.50) HTR1ADRD2DRD1ADRA1DADRA1A
SCHEMBL11630022 0.81 ABCC1 (0.49) HTR1ADRD2ADRA1DHTR2AADRA1A
Hydrochloric Acid SCHEMBL11634209 0.80 ABCC1 (0.49) HTR1ADRD2DRD1ADRA1DADRA1A
SCHEMBL11629707 0.80 HTR1A (0.60) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL11633843 0.80 ALDH1A1 (0.58) HTR1AMAPTLMNAKDM4EMEN1
SCHEMBL11629833 0.78 ADRA1D (0.48) HTR1ADRD2ADRA1DHTR2AADRA1A

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 2 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
US-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 — — US disclosed
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