SCHEMBL4789539

SCHEMBL4789539

C[N+]1(Cc2ccc3c(c2)OCO3)CC2CCC(C1)C2CC(C#N)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.41
ACHE P22303 1/20 0.40
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4788570 0.90 CHRM3 (0.38) CHRM3ACHECHRM2CHRM1TSHR
SCHEMBL4788471 0.80 CHRM3 (0.37) CHRM3CHRM2CHRM1TSHR
SCHEMBL4789352 0.80 TSHR (0.47) MEN1KMT2ATSHR
SCHEMBL4789936 0.79 CHRM3 (0.33) CHRM3ACHECHRM2CHRM1MEN1
SCHEMBL4789955 0.78 TSHR (0.42) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL4789383 0.74 CHRM3 (0.36) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL4788059 0.74 CHRM3 (0.37) CHRM3TSHR
SCHEMBL4789010 0.74 ALDH1A1 (0.35) CHRM3ACHECHRM2CHRM1TSHR
SCHEMBL4789923 0.73 CHRM3 (0.39) CHRM3CHRM2CHRM1TSHR
SCHEMBL4790311 0.72 CCR1 (0.36) ACHETSHR

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