SCHEMBL9636831

SCHEMBL9636831

Fc1ccc2[nH]cc(CC3=CCNCC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.61
SLC6A4 P31645 1/20 0.53
MPO P05164 9/20 0.51
HTR2A P28223 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
HTR1A P08908 2/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.46
HTR2C P28335 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
Hydrochloric Acid SCHEMBL9636876 0.99 GPR84 (0.60) GPR84SLC6A4MPOHTR2ATRPM8
SCHEMBL11050384 0.88 MPO (0.55) GPR84SLC6A4MPOHTR2ATRPM8
SCHEMBL27584422 0.79 GPR84 (0.61) GPR84SLC6A4MPOHTR2ATRPM8
SCHEMBL18383118 0.78 GPR84 (1.00) GPR84SLC6A4MPOHTR2ATRPM8
SCHEMBL30482437 0.78 GPR84 (1.00) GPR84SLC6A4MPOHTR2ATRPM8
SCHEMBL30913603 0.78 GPR84 (1.00) GPR84SLC6A4MPOHTR2ATRPM8
SCHEMBL2778860 0.74 HTR6 (0.67) SLC6A4HTR2AKMT2AMAPK1HTR2C
SCHEMBL29007187 0.71 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL5726056 0.70 SLC6A4 (1.00) GPR84SLC6A4MPOHTR2ATRPM8
Hydrochloric Acid SCHEMBL1574167 0.69 HTR2C (0.43) HTR2AHTR2C

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