SCHEMBL4789864

SCHEMBL4789864

C[N+]1(CCc2ccc3c(c2)OCO3)CC2C(CCC(C#N)(c3ccccc3)C3CCCCC3)C2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CCR1 P32246 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPK1 P28482 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4788458 0.92 CHRM3 (0.38) CHRM3KDM4ETDP1ACHETRPM8
SCHEMBL4789873 0.91 CHRM3 (0.39) CHRM3KDM4ETDP1ACHETRPM8
SCHEMBL4790066 0.87 KDM4E (0.35) CHRM3KDM4ETDP1TRPM8CCR1
SCHEMBL4789010 0.85 ALDH1A1 (0.35) CHRM3TDP1ACHETRPM8CCR1
SCHEMBL4790311 0.82 CCR1 (0.36) ACHETRPM8CCR1TSHRALDH1A1
SCHEMBL4787823 0.81 CCR1 (0.35) CHRM3ACHETRPM8CCR1
SCHEMBL4788471 0.80 CHRM3 (0.37) CHRM3TRPM8TSHRALDH1A1
SCHEMBL4788453 0.79 KDM4E (0.36) CHRM3KDM4ETDP1TRPM8CCR1
SCHEMBL4789922 0.78 KDM4E (0.35) CHRM3KDM4ETDP1ACHETRPM8
SCHEMBL4788351 0.77 ALDH1A1 (0.34) CHRM3ACHETRPM8MEN1KMT2A

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