SCHEMBL10856438

SCHEMBL10856438

CC(CN1CCCCC1)C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
ADRA2B P18089 2/20 0.53
DRD3 P35462 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
ALDH1A1 P00352 7/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
OPRD1 P41143 1/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
MITF O75030 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL10859044 0.82 CHRM2 (0.57) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL4936216 0.82 CHRM2 (0.61) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL13304408 0.82 CHRM2 (0.61) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL30463042 0.81 ALDH1A1 (0.62) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL10849479 0.81 CHRM2 (0.72) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL3339536 0.81 ALDH1A1 (0.62) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL30463043 0.81 ALDH1A1 (0.62) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL11031607 0.81 CHRM2 (0.56) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL10854331 0.80 CHRM2 (0.75) CHRM2ADRA2BDRD3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL31346808 0.80 CHRM2 (0.59) CHRM2ADRA2BDRD3SIGMAR1HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563454-A ASTHMA, RHINITIS, DERMATITIS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US disclosed
US-4277474-A DERMATITIS, RHINITIS, ASTHMA NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed
EP-0004000-A1 New propanone derivatives, process for producing thereof and pharmaceutical compositions containing these derivatives as active ingredients NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1979-09-19 EP disclosed