SCHEMBL11783437

SCHEMBL11783437

COc1cc2[nH]c(C)c(CCN3CCC(c4ccccc4)CC3)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.70
▸ NR1I2 O75469 1/20 0.70
▸ ADRB1 P08588 1/20 0.70
▸ HTR1A P08908 1/20 0.70
▸ ADRA2A P08913 1/20 0.70
▸ ADORA3 P0DMS8 1/20 0.70
▸ ADRA2B P18089 1/20 0.70
▸ ADRA2C P18825 1/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ HTR2A P28223 1/20 0.70
▸ HTR2C P28335 1/20 0.70
▸ PTGS2 P35354 1/20 0.70
▸ HRH1 P35367 1/20 0.70
▸ HTR2B P41595 1/20 0.70
▸ CHRNA4 P43681 1/20 0.70
▸ SLC6A3 Q01959 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ CHRNA7 P36544 2/20 0.49
▸ TLR9 Q9NR96 3/20 0.45

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
Hydrochloric Acid SCHEMBL11335313 0.99 DRD2 (0.69) DRD2NR1I2ADRB1HTR1AADRA2A
SCHEMBL11787894 0.84 CHRNA7 (0.52) DRD2NR1I2ADRB1HTR1AADRA2A
SCHEMBL11784439 0.83 CHRNA7 (0.56) DRD2HTR2AHTR2CKCNH2CHRNA7
Oxypertine SCHEMBL2463001 0.83 DRD2 (1.00) DRD2NR1I2ADRB1HTR1AADRA2A
Oxypertine SCHEMBL1515 0.83 DRD2 (1.00) DRD2NR1I2ADRB1HTR1AADRA2A
Oxypertine SCHEMBL31153315 0.83 DRD2 (1.00) DRD2NR1I2ADRB1HTR1AADRA2A
SCHEMBL11338350 0.82 CHRNA7 (0.50) DRD2NR1I2ADRB1HTR1AADRA2A
Oxypertine SCHEMBL5069690 0.82 DRD2 (0.98) DRD2NR1I2ADRB1HTR1AADRA2A
Oxypertine SCHEMBL3440995 0.82 DRD2 (0.98) DRD2NR1I2ADRB1HTR1AADRA2A
SCHEMBL11326948 0.82 CHRNA7 (0.50) DRD2NR1I2ADRB1HTR1AADRA2A

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-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 — — US claimed
US-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 — — US disclosed
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