SCHEMBL11222646

SCHEMBL11222646

COc1ccc2[nH]cc(C3CCN(CCCn4c(=O)[nH]c5ccccc54)CC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.66
SLC6A4 P31645 8/20 0.66
DRD2 P14416 4/20 0.66
HTR7 P34969 4/20 0.66
HTR6 P50406 4/20 0.66
HTR2A P28223 3/20 0.63

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 SCHEMBL11036620 0.99 HTR1A (0.65) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL11038162 0.87 ADRA1D (0.68) SLC6A4
Hydrochloric Acid SCHEMBL11037928 0.86 ADRA1D (0.69) SLC6A4
SCHEMBL11037320 0.85 ADRA1D (0.67) SLC6A4
SCHEMBL11037991 0.84 ADRA1D (0.69) SLC6A4
SCHEMBL11038647 0.84 ADRA1D (0.69) SLC6A4
SCHEMBL5937224 0.81 HTR1A (0.71) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL11047479 0.81 ADRA1D (0.61) SLC6A4HTR7HTR2A
SCHEMBL8558005 0.81 HTR1A (0.77) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8558622 0.80 HTR1A (0.73) HTR1ASLC6A4DRD2HTR7HTR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359468-A ALSO USEFUL AS HYPOTENSIVE AGE NTS BOEHRINGER INGELHEIM LTD. (US) 1982-11-16 US disclosed