SCHEMBL8777075

SCHEMBL8777075

CC(O)c1ccccc1Oc1ccccc1CN

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
CXCL8 P10145 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.33

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
SCHEMBL4440523 0.84 P2RX3 (0.42) P2RX3P2RX2ALDH1A1SLC6A2SLC6A4
SCHEMBL2778070 0.80 PNMT (0.41) TAAR1
SCHEMBL27995634 0.80 PNMT (0.41) TAAR1
SCHEMBL6319190 0.80 HRH1 (0.52) HRH1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8777062 0.74 HRH1 (0.44) HRH1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL24762924 0.73 SMN1; SMN2 (0.47) HRH1TAAR1ALDH1A1SLC6A2SLC6A4
SCHEMBL2356142 0.73 SLC6A4 (0.49) ALDH1A1SLC6A2SLC6A4L3MBTL1RIPK1
SCHEMBL14047087 0.72 TAAR1 (0.38) TAAR1ALDH1A1
SCHEMBL26921471 0.72 LMNA (0.52) ALDH1A1SLC6A2SLC6A4
SCHEMBL2351750 0.72 SLC6A2 (0.46) P2RX3P2RX2ALDH1A1SLC6A2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800513-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1997-10-15 EP disclosed
US-5605932-A Opiate receptor ligands CHIRON CORPORATION (US) 1997-02-25 US disclosed
US-5536868-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1996020921-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1996-07-11 WO disclosed
US-5481020-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-01-02 US disclosed