SCHEMBL5820396

SCHEMBL5820396

O=CCCC(c1ccc(F)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.55
DRD3 P35462 5/20 0.55
SIGMAR1 Q99720 4/20 0.55
LMNA P02545 1/20 0.55
CCR1 P32246 1/20 0.51
DRD4 P21917 2/20 0.47
OPRM1 P35372 4/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
OPRL1 P41146 3/20 0.47
HTR1A P08908 2/20 0.47
DRD1 P21728 2/20 0.47
DRD5 P21918 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2A P28223 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR7 P34969 2/20 0.47
HRH1 P35367 2/20 0.47
HTR2B P41595 2/20 0.47
MEN1 O00255 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
SCHEMBL23883211 1.00 DRD2 (0.55) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL16992739 0.84 DRD2 (0.60) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL5323013 0.82 DRD2 (0.43) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL4053894 0.81 DRD2 (0.54) DRD2DRD3SIGMAR1LMNACCR1
Hydrochloric Acid SCHEMBL20271390 0.80 DRD2 (0.53) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL4003607 0.79 OPRM1 (0.48) DRD2DRD3LMNACCR1OPRM1
SCHEMBL10677826 0.74 OPRL1 (0.37) DRD2DRD3DRD4OPRM1OPRD1
SCHEMBL11399201 0.73 P2RX7 (0.37) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL11716220 0.72 DRD2 (0.62) DRD2DRD3SIGMAR1LMNACCR1
SCHEMBL11716222 0.72 DRD2 (0.62) DRD2DRD3SIGMAR1LMNACCR1

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
WO-2006050511-A2 BUTYROPHENOMENES AND SIGMA-1 RECEPTOR ANTAGONISTS PROTECT AGAINST OXIDATIVES-STRESS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2006-05-11 WO disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
EP-0031561-A2 A rectally administered suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1981-07-08 EP disclosed