SCHEMBL4789676

SCHEMBL4789676

CCC(C#N)(CC1C2C[N+](CCc3ccc4c(c3)OCO4)(Cc3ccc(Br)cc3)CC12)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
NPSR1 Q6W5P4 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HSP90AA1 P07900 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4790238 0.95 ALDH1A1 (0.35) HTR2AHTR2CHTR2BNPSR1ALDH1A1
SCHEMBL4789357 0.89 POLB (0.35) POLBHTR2AHTR2CHTR2BALDH1A1
SCHEMBL4788351 0.85 ALDH1A1 (0.34) HTR2AHTR2CHTR2BNPSR1ALDH1A1
SCHEMBL4789954 0.84 CHRM3 (0.34) POLBHTR2AHTR2CHTR2BALDH1A1
SCHEMBL4788059 0.83 CHRM3 (0.37) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL4789922 0.83 KDM4E (0.35) POLBHTR2AHTR2CHTR2BALDH1A1
SCHEMBL4789938 0.82 KDM4E (0.35) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL4789177 0.82 CCR3 (0.33) POLBHTR2AHTR2CHTR2BALDH1A1
SCHEMBL4789383 0.80 CHRM3 (0.36) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL4788465 0.79 CHRM3 (0.32)

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
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO claimed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO disclosed