SCHEMBL9682003

SCHEMBL9682003

Cc1cccc(C)c1OC1CNC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.64
HTR1A P08908 8/20 0.64
SLC6A4 P31645 4/20 0.64
HTR2C P28335 1/20 0.46
SLC6A3 Q01959 2/20 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
Hydrochloric Acid SCHEMBL9683045 0.98 SLC6A2 (0.62) SLC6A2HTR1ASLC6A4HTR2CSLC6A3
SCHEMBL28006814 0.80 HTR1A (0.66) SLC6A2HTR1ASLC6A4HTR2CSLC6A3
Hydrochloric Acid SCHEMBL16650666 0.79 HTR1A (0.64) SLC6A2HTR1ASLC6A4HTR2CSLC6A3
SCHEMBL26712584 0.78 SLC6A2 (0.58) SLC6A2HTR1ASLC6A4HTR2CSLC6A3
Hydrochloric Acid SCHEMBL6970223 0.76 SLC6A2 (0.46) SLC6A2HTR1ASLC6A4SLC6A3
SCHEMBL11587469 0.75 HTR1A (0.45) SLC6A2HTR1ASLC6A4
SCHEMBL20165474 0.75 SLC6A2 (0.74) SLC6A2HTR1ASLC6A4SLC6A3
SCHEMBL2299492 0.75 SLC6A2 (0.64) SLC6A2HTR1ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20165824 0.73 SLC6A2 (0.72) SLC6A2HTR1ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6971302 0.72 SLC6A2 (0.43) SLC6A2HTR1ASLC6A4HTR2C

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-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US claimed