SCHEMBL9635299

SCHEMBL9635299

Fc1ccc2[nH]cc(CCC3CCNCC3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.78
MPO P05164 7/20 0.57
HTR2A P28223 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
MAPK1 P28482 1/20 0.56
HTR1A P08908 2/20 0.56
KMT2A Q03164 1/20 0.56
GPR84 Q9NQS5 1/20 0.55
BCHE P06276 1/20 0.54

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
SCHEMBL5726056 0.87 SLC6A4 (1.00) SLC6A4MPOHTR2ATRPM8MAPK1
SCHEMBL17367855 0.84 SLC6A4 (0.72) SLC6A4HTR2AHTR1AKMT2A
SCHEMBL17367852 0.84 SLC6A4 (0.82) SLC6A4HTR2AHTR1AKMT2ABCHE
SCHEMBL10953311 0.84 SLC6A4 (1.00) SLC6A4HTR2ATRPM8HTR1AGPR84
SCHEMBL8125191 0.82 SLC6A4 (0.84) SLC6A4MPOHTR2ATRPM8MAPK1
SCHEMBL10119871 0.81 SLC6A4 (0.72) SLC6A4MPOHTR2ATRPM8MAPK1
SCHEMBL10959815 0.81 SLC6A4 (0.67) SLC6A4HTR2ATRPM8HTR1AGPR84
Indalpine SCHEMBL3863561 0.80 SLC6A4 (1.00) SLC6A4MPOHTR2ABCHE
Indalpine SCHEMBL29604957 0.80 SLC6A4 (1.00) SLC6A4MPOHTR2ABCHE
Indalpine SCHEMBL49135 0.80 SLC6A4 (1.00) SLC6A4MPOHTR2ABCHE

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-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed