SCHEMBL8616384

SCHEMBL8616384

CCN1CCCC1c1c[c]ccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA7 P36544 3/20 0.40
CHRNA4 P43681 3/20 0.40
RIPK1 Q13546 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRNA2 Q15822 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
PSIP1 O75475 1/20 0.35
TRPA1 O75762 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA1 P02708 1/20 0.35

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
SCHEMBL13407277 0.82 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23423397 0.82 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23032150 0.82 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8590569 0.81 KDM4E (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3610436 0.79 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3605879 0.79 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3611994 0.79 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8590205 0.79 TMEM97 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8587111 0.77 KDM4E (0.47) ALDH1A1
SCHEMBL8592298 0.77 L3MBTL3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed