SCHEMBL7149632

SCHEMBL7149632

O=C(O)CCC1C2CCCC1CNC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNA7 P36544 3/20 0.34
SLC6A1 P30531 4/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6778107 0.80 HSD11B1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6747313 0.79 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL7147422 0.78 HSD11B1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22288563 0.75 LMNA (0.35) FOLH1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL6749042 0.75 CCR5 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6747271 0.74 ITGB3 (0.34) FOLH1ALDH1A1SMN1; SMN2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6749186 0.74 CCR5 (0.33)
SCHEMBL30707244 0.71 HSD11B1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL7330314 0.70
SCHEMBL16629043 0.70

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