SCHEMBL6842741

SCHEMBL6842741

O=C(NCN1CCNCC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.59
DRD2 P14416 7/20 0.59
DRD3 P35462 5/20 0.59
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
OPRD1 P41143 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CHRM3 P20309 1/20 0.46

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
SCHEMBL2774517 0.85 DRD4 (0.64) DRD4DRD2DRD3MEN1POLB
SCHEMBL16829430 0.84 KDM4E (0.64) GAAALDH1A1SMN1; SMN2
SCHEMBL3174309 0.83 DRD4 (0.62) DRD4DRD2DRD3MEN1POLB
SCHEMBL22123024 0.82 ALDH1A1 (0.67) DRD4DRD2DRD3POLBGAA
SCHEMBL2228237 0.81 ALDH1A1 (0.66) DRD4DRD2DRD3MEN1POLB
SCHEMBL16617729 0.81 DRD4 (0.63) DRD4DRD2DRD3MEN1POLB
SCHEMBL885731 0.81 DRD4 (0.59) DRD4DRD2DRD3MEN1POLB
SCHEMBL13531644 0.78 DRD4 (0.57) DRD4DRD2DRD3MEN1POLB
SCHEMBL22122851 0.78 SMN1; SMN2 (0.63) POLBKMT2ASIGMAR1OPRD1GAA
SCHEMBL22124598 0.78 SMN1; SMN2 (0.62) DRD4DRD2DRD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013082756-A1 PHOSPHATE TRANSPORT INHIBITORS II LEO PHARMA A/S (DK) 2013-06-13 WO claimed
WO-2013082751-A1 PHOSPHATE TRANSPORT INHIBITORS I LEO PHARMA A/S (DK) 2013-06-13 WO claimed
CN-107982266-A Carbamate compounds and its preparation and application 阿比德治疗公司 2018-05-04 CN disclosed
CN-104159581-B Carbamate compounds and methods of making and using the same 阿比德治疗公司 2017-09-01 CN disclosed
US-6680318-B2 FOR THERAPY OF PAIN, GASTROINTESTINAL DISORDERS, SPINAL INJURIES ASTRAZENECA AB (SE) 2004-01-20 US disclosed