SCHEMBL5504017

SCHEMBL5504017

O=C(CCc1ccccc1)NC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.82
DRD4 P21917 2/20 0.61
CHRM1 P11229 1/20 0.61
CXCR3 P49682 1/20 0.59
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
HTR2A P28223 1/20 0.57
EPHX2 P34913 1/20 0.57
OPRM1 P35372 2/20 0.56
OPRD1 P41143 2/20 0.56
OPRK1 P41145 2/20 0.56
EPHX1 P07099 1/20 0.56
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56

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
SCHEMBL31486979 0.93 SIGMAR1 (0.71) SIGMAR1DRD4CHRM1OPRM1
SCHEMBL10340306 0.89 SIGMAR1 (0.67) SIGMAR1DRD4CHRM1CXCR3MAOA
SCHEMBL25815883 0.88 SIGMAR1 (0.80) SIGMAR1DRD4CXCR3HTR2AACHE
SCHEMBL10648926 0.88 SIGMAR1 (0.80) SIGMAR1DRD4CHRM1CXCR3MAOA
SCHEMBL13929176 0.87 SIGMAR1 (0.64) SIGMAR1CHRM1MAOAMAOBEPHX2
SCHEMBL27430491 0.87 SIGMAR1 (0.79) SIGMAR1DRD4CXCR3HTR2AACHE
SCHEMBL11576999 0.86 SIGMAR1 (0.65) SIGMAR1DRD4MAOAMAOBBCHE
SCHEMBL26097425 0.86 SIGMAR1 (0.70) SIGMAR1DRD4CHRM1CXCR3EPHX2
SCHEMBL17512172 0.86 SIGMAR1 (0.70) SIGMAR1DRD4CHRM1CXCR3HTR2A
SCHEMBL27904589 0.86 SIGMAR1 (0.60) SIGMAR1CHRM1MAOAMAOBEPHX2

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
CN-102172345-B Method for allocating the fast dispersing dosage form comprising at least one isinglass based on molecular weight selection R.P.谢勒技术有限公司 2018-05-04 CN disclosed
EP-3145503-A1 METHOD FOR ADJUSTING THE RELEASE OF ACTIVE AGENT IN A TRANSDERMAL DELIVERY SYSTEM LTS Lohmann Therapie-Systeme AG (DE) 2017-03-29 EP disclosed
CN-106456567-A Method for modulating the release of active agents in transdermal delivery systems LTS勒曼治疗系统股份公司 2017-02-22 CN disclosed
CN-106456568-A Transdermal delivery system including interface mediator LTS勒曼治疗系统股份公司 2017-02-22 CN disclosed
WO-2015177209-A1 METHOD FOR ADJUSTING THE RELEASE OF ACTIVE AGENT IN A TRANSDERMAL DELIVERY SYSTEM LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2015-11-26 WO disclosed
EP-2646107-A2 AGENT DELIVERY SYSTEMS FOR SELECTIVE NEUROMODULATION Spinal Modulation Inc. (US) 2013-10-09 EP disclosed
WO-2012075337-A2 DIRECTED DELIVERY OF AGENTS TO NEURAL ANATOMY SPINAL MODULATION, INC. (US) 2012-06-07 WO disclosed
EP-1708686-A4 GENERALLY LINEAR EFFERVESCENT ORAL FENTANYL DOSAGE FORM AND METHODS OF ADMINISTERING CIMA LABS INC (US) 2007-12-26 EP disclosed
EP-1708686-A2 GENERALLY LINEAR EFFERVESCENT ORAL FENTANYL DOSAGE FORM AND METHODS OF ADMINISTERING CIMA LABS INC. (US) 2006-10-11 EP disclosed
WO-2005065319-A2 GENERALLY LINEAR EFFERVESCENT ORAL FENTANYL DOSAGE FORM AND METHODS OF ADMINISTERING CIMA LABS INC. (US) 2005-07-21 WO disclosed