SCHEMBL9636827

SCHEMBL9636827

Fc1ccc2[nH]cc(CC3=CCN(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
GPR84 Q9NQS5 2/20 0.51
HTR1A P08908 4/20 0.51
DRD2 P14416 3/20 0.51
HTR2A P28223 2/20 0.51
HTT P42858 1/20 0.51
ACHE P22303 1/20 0.49
MPO P05164 2/20 0.48
SLC6A4 P31645 1/20 0.47
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47

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
Bromide SCHEMBL9636869 0.99 OPRM1 (0.51) OPRM1OPRK1GPR84HTR1ADRD2
SCHEMBL9091993 0.78 DRD4 (0.56) OPRM1OPRK1GPR84HTR1ADRD2
SCHEMBL27118744 0.77 TACR1 (0.49) ACHESLC6A4TACR2TACR1
SCHEMBL8124362 0.74 SLC6A4 (0.56) HTR1ASLC6A4
SCHEMBL5242533 0.73 SLC6A4 (0.53) HTR1ADRD2HTR2AHTTSLC6A4
SCHEMBL9635358 0.72
SCHEMBL9091956 0.72 BCHE (0.57) HTR1ADRD2HTR2AHTT
SCHEMBL5726278 0.72 SLC6A4 (0.47) GPR84HTR1AMPOSLC6A4TACR2
SCHEMBL9636831 0.71 GPR84 (0.61) GPR84HTR1AHTR2AMPOSLC6A4
SCHEMBL9635354 0.71 GPR84 (0.45) OPRK1GPR84HTR1ADRD2HTR2A

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