SCHEMBL11786014

SCHEMBL11786014

COc1cc2[nH]cc(CCN3CCC(c4ccccc4)CC3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ HTR2A P28223 3/20 0.50
▸ CHRNA7 P36544 1/20 0.47
▸ HTR1A P08908 3/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL11242128 0.93 SIGMAR1 (0.51) HTR1ASLC6A4HTR7KCNH2
SCHEMBL7282326 0.82 HTR1A (0.47) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL11333398 0.81 DRD2 (0.76) DRD2DRD4DRD3HTR2ACHRNA7
SCHEMBL11346132 0.81 ALDH1A1 (0.51) —
SCHEMBL11785874 0.80 KCNH2 (0.61) DRD2DRD4DRD3HTR2AHTR1A
SCHEMBL27816761 0.80 MPO (0.61) HTR2AHTR1ASLC6A4HTR7KCNH2
SCHEMBL11783437 0.80 DRD2 (0.70) DRD2HTR2ACHRNA7HTR1AKCNH2
SCHEMBL11351695 0.79 HTR1A (0.60) HTR1A
SCHEMBL11243420 0.79 HTR1A (0.69) HTR1A
Hydrochloric Acid SCHEMBL11335313 0.79 DRD2 (0.69) DRD2HTR2ACHRNA7HTR1AKCNH2

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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