SCHEMBL9541312

SCHEMBL9541312

O=C1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.52
MPO P05164 9/20 0.50
GPR84 Q9NQS5 1/20 0.50
ACHE P22303 3/20 0.49
SLC6A4 P31645 3/20 0.49
HTR1A P08908 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NOTUM Q6P988 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 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
SCHEMBL8556742 0.81 HSD11B1 (0.61) TSHRSLC6A4HTR1A
SCHEMBL23244251 0.81 ME2 (0.59) TSHRMPOACHESLC6A4HTR1A
SCHEMBL9541243 0.78 MPO (0.76) MPOSLC6A4HTR1A
SCHEMBL8870741 0.77 TSHR (0.50) TSHRPTGDR2MPOGPR84ACHE
SCHEMBL13952937 0.77 TSHR (0.45) TSHRPTGDR2MPOACHESLC6A4
SCHEMBL29577224 0.77 TDO2 (0.55) TSHRACHESLC6A4
SCHEMBL23244324 0.77 TDO2 (0.55) TSHRACHESLC6A4
SCHEMBL2260803 0.76 TSHR (1.00) TSHRMPOGPR84SLC6A4HTR1A
SCHEMBL15245611 0.75 TSHR (0.56) TSHRMPOGPR84SLC6A4HTR1A
SCHEMBL8557474 0.75 HSD11B1 (0.48) TSHRPTGDR2SLC6A4HTR1AALDH1A1

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
WO-1993014084-A2 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed