SCHEMBL12954024

SCHEMBL12954024

CN1CCCC2C[C@@H](CC(CNC(=O)NCc3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 8/20 0.69
▸ CHRM1 P11229 8/20 0.69
▸ CHRM3 P20309 8/20 0.69
▸ CCR3 P51677 3/20 0.43
▸ CCR1 P32246 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ PPID Q08752 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL12953791 0.91 CHRM3 (0.67) CHRM2CHRM1CHRM3CCR3CCR1
SCHEMBL12953549 0.88 CHRM3 (0.65) CHRM2CHRM1CHRM3
SCHEMBL138459 0.82 CHRM3 (1.00) CHRM2CHRM1CHRM3CCR3
SCHEMBL138458 0.82 CHRM3 (1.00) CHRM2CHRM1CHRM3CCR3
SCHEMBL12954109 0.80 CHRM3 (0.60) CHRM2CHRM1CHRM3
SCHEMBL12953389 0.78 CHRM2 (0.66) CHRM2CHRM1CHRM3
SCHEMBL12954023 0.78 CHRM3 (0.44) CHRM2CHRM1CHRM3
SCHEMBL12953184 0.78 CHRM3 (0.47) CHRM2CHRM1CHRM3CCR1
SCHEMBL12953201 0.77 CHRM3 (0.60) CHRM2CHRM1CHRM3LMNA
SCHEMBL12954020 0.75 CHRM3 (0.62) CHRM2CHRM1CHRM3

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
EP-1677795-B1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-01-05 — — EP disclosed
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