SCHEMBL12953791

SCHEMBL12953791

CCNC(=O)NCC(C[C@@H]1CC2CCCN(C)[C@H]2C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 12/20 0.67
▸ CHRM1 P11229 12/20 0.67
▸ CHRM2 P08172 10/20 0.67
▸ CCR3 P51677 2/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MTNR1A P48039 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
SCHEMBL12954024 0.91 CHRM2 (0.69) CHRM3CHRM1CHRM2CCR3CCR1
SCHEMBL12953549 0.89 CHRM3 (0.65) CHRM3CHRM1CHRM2ATML3MBTL1
SCHEMBL12954109 0.81 CHRM3 (0.60) CHRM3CHRM1CHRM2ATML3MBTL1
SCHEMBL14401582 0.80 CHRM3 (1.00) CHRM3CHRM1CHRM2
SCHEMBL136414 0.80 CHRM3 (1.00) CHRM3CHRM1CHRM2
SCHEMBL136415 0.80 CHRM3 (1.00) CHRM3CHRM1CHRM2
SCHEMBL12953389 0.79 CHRM2 (0.66) CHRM3CHRM1CHRM2L3MBTL1
SCHEMBL12954023 0.79 CHRM3 (0.44) CHRM3CHRM1CHRM2ATML3MBTL1
SCHEMBL12953184 0.79 CHRM3 (0.47) CHRM3CHRM1CHRM2CCR1ATM
SCHEMBL12953201 0.78 CHRM3 (0.60) CHRM3CHRM1CHRM2ATML3MBTL1

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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