SCHEMBL3701837

SCHEMBL3701837

CN(Cc1cc(Sc2ccc(Cl)nc2)n(-c2ccc(F)cc2F)n1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.43
SLC6A4 P31645 8/20 0.43
HTR2A P28223 1/20 0.43
CNR2 P34972 7/20 0.36
CNR1 P21554 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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
SCHEMBL3699694 0.93 HTR2C (0.45) HTR2CSLC6A4HTR2ACNR2
SCHEMBL3696458 0.93 HTR2C (0.43) HTR2CSLC6A4HTR2A
SCHEMBL3703719 0.92 HTR2C (0.43) HTR2CSLC6A4HTR2A
SCHEMBL3698042 0.91 HTR2C (0.43) HTR2CSLC6A4HTR2A
SCHEMBL3697267 0.91 HTR2C (0.48) HTR2CSLC6A4HTR2ACNR2
SCHEMBL4125525 0.88 CNR1 (0.35) HTR2CSLC6A4HTR2ACNR2CNR1
SCHEMBL3695013 0.88 HTR2C (0.43) HTR2CSLC6A4HTR2A
SCHEMBL3703228 0.88 HTR2C (0.45) HTR2CSLC6A4HTR2A
SCHEMBL3700534 0.88 HTR2C (0.45) HTR2CSLC6A4HTR2A
SCHEMBL3692811 0.88 HTR2C (0.45) HTR2CSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed