SCHEMBL12953202

SCHEMBL12953202

CN1CCCC2CC(CC(C)(c3ccccc3)c3ccccc3)CC21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 13/20 0.45
▸ CHRM2 P08172 9/20 0.45
▸ CHRM1 P11229 9/20 0.45
▸ DRD2 P14416 2/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ MLNR O43193 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39

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
SCHEMBL13187336 0.87 CHRM3 (0.42) CHRM3CHRM2CHRM1DRD2SLC22A1
SCHEMBL12954109 0.84 CHRM3 (0.60) CHRM3CHRM2CHRM1DRD2CHRM4
SCHEMBL12954022 0.84 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL12954023 0.84 CHRM3 (0.44) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL10316394 0.84 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL12953201 0.83 CHRM3 (0.60) CHRM3CHRM2CHRM1CYP3A4ATM
SCHEMBL12954020 0.81 CHRM3 (0.62) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL12953184 0.79 CHRM3 (0.47) CHRM3CHRM2CHRM1CYP3A4CYP2D6
SCHEMBL12953549 0.77 CHRM3 (0.65) CHRM3CHRM2CHRM1CYP3A4CYP2D6
SCHEMBL12953389 0.76 CHRM2 (0.66) CHRM3CHRM2CHRM1CYP2C19KCNH2

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
Send feedback