SCHEMBL9195296

SCHEMBL9195296

COc1ccccc1OCCN1CCC(=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
POLB P06746 1/20 0.54
GAA P10253 2/20 0.52
TDP1 Q9NUW8 3/20 0.51
MITF O75030 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
LTA4H P09960 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL12661473 0.84 POLB (0.73) DRD2DRD3POLBGAATDP1
SCHEMBL3436048 0.80 POLB (0.55) DRD2DRD3POLBTDP1MITF
SCHEMBL5319656 0.80 KDM4E (0.70) POLBTDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9200779 0.79 ADRA1A (0.57) DRD2DRD3POLBTDP1MITF
Ammonia Solution, Strong SCHEMBL4267670 0.79 KDM4E (0.68) POLBTDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12818306 0.79 SIGMAR1 (0.77) DRD2HTR2B
SCHEMBL17848474 0.78 DRD2 (0.58) DRD2TDP1HTR1AHTR7ALDH1A1
SCHEMBL8114904 0.78 LTA4H (0.61) TDP1SMN1; SMN2KDM4EALDH1A1LTA4H
SCHEMBL6945688 0.78 LTA4H (0.61) TDP1SMN1; SMN2KDM4EALDH1A1LTA4H
SCHEMBL8690263 0.77 DRD2 (0.46) DRD2DRD3POLBTDP1MITF

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
EP-0520882-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1995-07-12 EP disclosed
US-5246939-A Antiadrenergic systems for lower urinary apparatus SYNTHELABO (FR) 1993-09-21 US disclosed
EP-0520882-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1992-12-30 EP disclosed