SCHEMBL5667192

SCHEMBL5667192

CC(C)(C)N1CCC(NCC2CCCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.40
GLB1 P16278 1/20 0.36
CHRM5 P08912 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA2B P18089 1/20 0.34
OPRK1 P41145 2/20 0.34
TMEM97 Q5BJF2 3/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
MCHR1 Q99705 1/20 0.33
EPHX1 P07099 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 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
SCHEMBL5695926 0.91 NPY2R (0.35) CXCR3OPRK1NPY2R
SCHEMBL26138899 0.82
SCHEMBL8048580 0.79 DPP7 (0.46) CXCR3GLB1CHRM5CHRM2CHRM4
SCHEMBL730977 0.76
SCHEMBL24379883 0.76 EPHX1 (0.48) CXCR3GLB1CHRM5CHRM2CHRM4
SCHEMBL22790745 0.76 EPHX1 (0.48) CXCR3GLB1CHRM5CHRM2CHRM4
SCHEMBL22693050 0.76 EPHX1 (0.48) CXCR3GLB1CHRM5CHRM2CHRM4
SCHEMBL24514269 0.76 EPHX1 (0.48) CXCR3GLB1CHRM5CHRM2CHRM4
SCHEMBL22790746 0.76 EPHX1 (0.48) CXCR3GLB1CHRM5CHRM2CHRM4
SCHEMBL22802804 0.76 EPHX1 (0.48) CXCR3GLB1CHRM5CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729754-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
EP-1660185-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1660064-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1660065-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 WO disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005021095-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed