SCHEMBL7141829

SCHEMBL7141829

CC(C)(C(=O)O)C1C2CCCC1CNC2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.34
CHRNA4 P43681 11/20 0.34
CHRNB4 P30926 10/20 0.34
CHRNA3 P32297 10/20 0.34
CHRNA7 P36544 9/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SSTR4 P31391 1/20 0.33
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31

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
SCHEMBL6745549 0.76 CYP4F2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15491864 0.74 CCR5 (0.38)
SCHEMBL6750181 0.72 CCR5 (0.32)
SCHEMBL15001268 0.70 ALDH1A1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14240126 0.69 CCR5 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21853315 0.69 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Oxalic Acid SCHEMBL27463348 0.68 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Oxalic Acid SCHEMBL8899578 0.66 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Oxalic Acid SCHEMBL8899573 0.66 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4158086 0.65 SLC6A1 (0.47) SSTR4SLC6A1SLC6A11TSHRLMNA

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
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed