SCHEMBL9032168

SCHEMBL9032168

O=C(O)OC1CC1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.44
CNR1 P21554 1/20 0.40
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 8/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A2 P23975 6/20 0.39

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
SCHEMBL8097764 0.83 HDAC4 (0.46) SLC9A1SLC6A3HTR2CSLC6A2
SCHEMBL9031961 0.78 ABCC1 (0.46) HTR2A
SCHEMBL11458171 0.74 HDAC4 (0.44) SLC9A1SLC6A3HTR2CSLC6A2
SCHEMBL805079 0.72 SLC9A1 (0.60) SLC9A1CNR1HTR2AHTR2CHTR2B
SCHEMBL6832060 0.72 SLC9A1 (0.60) SLC9A1CNR1HTR2AHTR2CHTR2B
SCHEMBL301295 0.72 SLC9A1 (0.60) SLC9A1CNR1HTR2AHTR2CHTR2B
SCHEMBL13544388 0.72 SLC9A1 (0.60) SLC9A1CNR1HTR2AHTR2CHTR2B
SCHEMBL3751420 0.72 SLC9A1 (0.60) SLC9A1CNR1HTR2AHTR2CHTR2B
SCHEMBL7651885 0.72 SLC9A1 (0.60) SLC9A1CNR1HTR2AHTR2CHTR2B
SCHEMBL4210867 0.72 SLC9A1 (0.60) SLC9A1CNR1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487095-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1996-02-28 EP disclosed
EP-0487095-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed